CO2 gas resonance absorption at CO2 laser wavelength in?multiple laser coating

Multiple laser beams demonstrate many advantages as energy sources in diamond synthesis. In a reported amazingly-fast multiple laser coating technique, CO₂ gas is claimed as the sole precursor or secondary precursor for forming a diamond or diamond-like carbon, which remains poorly understood. The absorption coefficient changes under the irradiation of multiple lasers are one of the keys to resolve the mysteries of multiple laser beam coating processes. This study investigates the optical absorption in CO₂ gas at the CO₂ laser wavelength. The resonance absorption process is modeled as an inverse process of the lasing transitions of CO₂ lasers. The well-established CO₂ vibrational-rotational energy structures are used as the basis for the calculations with the Boltzmann distribution for equilibrium states and the three-temperature model for non-equilibrium states. Based on the population distribution, our predictions of the CO₂ absorption coefficient changes as a function of temperature are in agreement with the published data.     

Stark spectroscopy with the CO2 laser: The ν3 band of CD3F

The ν₃ band of CD₃F has been studied using coincidences with the 10.4 μm band of the CO₂ laser. The majority of the 150 resonances measured have been studied using the Lamb dip technique. These resonances have been analyzed, together with recent microwave results, to give the following vibration-rotation parameters and dipole moments in the ν₃ state.

     

3.

Molecular relaxations in mixtures of O₂ with CO₂ observed on?laser-induced gratings     

W. Hubschmid 《Applied physics. B, Lasers and optics》2009,94(2):345-353

Laser-induced gratings in mixtures of O₂ with CO₂ were formed by excitation of the O₂ molecules to the singlet state b ¹ Σ _g ⁺(v′=0). Density changes from heat release and from electrostriction, and variation of electric polarizability by excitation of molecules contribute to the grating. For modeling the relaxation of the excited O₂ molecules, a three-step process is assumed: Fast heat release with respect to the rotational states first, then medium fast electronic de-activation with excitation of vibrational states of the O₂ and CO₂ molecules, and then the final slow heat release processes. The observed temporal evolution of the diffraction efficiency of the grating agrees rather well with modeling. Average rates of the final relaxations and the value of the polarizability of the singlet state b ¹ Σ _g ⁺(v′=0) are determined in this way.     

4.

CO₂ and N₂O laser Stark spectroscopy of the ν₁ band of the ClO₂ radical     

Keiichi Tanaka  Takehiko Tanaka 《Journal of Molecular Spectroscopy》1983,98(2):425-452

The ν₁ fundamental band of the ClO₂ radical has been studied by means of the 10.6-μm CO₂ and N₂O laser Stark spectroscopy. More than 250 and 150 Stark resonances were assigned for the ³⁵ClO₂ and ³⁷ClO₂ species, respectively, and were analyzed together with the recent microwave and laser-microwave double resonance results to give molecular constants including spin-rotation interaction constants. The ν₁ band origins and electric dipole moments both in the ground and ν₁ states were determined accurately

	12CD3F
$\text{ν}{}_0$	992.29882 (19)	cm?1
$\text{B}$	20395.776 ± 0.08	MHz
$\text{A-A}{}_0$	?35.73 ± 0.61	MHz
$\text{D}{}_{\mathrm{J}}$	33.8 ± 0.5	kHz
$\text{D}{}_{\mathrm{JK}}$	203.9 ± 7	kHz
$\text{μ}{}_{\mathrm{\nu 3}}$	1.8964 ± 0.0015	D
$\text{μ}{}_{\mathrm{\nu 3}}\text{? μ}{}_0$	0.02617 ± 0.0005	D

     

5.

The 10.4 μm CO₂ laser Stark spectra of the ν₄ and the ν₉ bands of 1,1 difluoroethylene     

G Duxbury  H Herman 《Journal of Molecular Spectroscopy》1978,73(3):444-461

The ν₄ and the ν₉ bands of CF₂CH₂ have been studied using coincidences with the 10.4 μm band of the CO₂ laser and the 10.9 μm band of the N₂O laser. These resonances have been analyzed, together with recent microwave results, to give the following vibration-rotation parameters and dipole moments in the ν₄ and ν₉ states

		35ClO2		37ClO2
$\text{ν}{}_0$		945.592 357(60)		939.602 909(66)		cm?1
μ′		1.788 39(13)		1.788 46(15)		D
μ″		1.791 95(10)		1.792 10(13)		D
δμ		?0.003 56(18)		?0.003 64(26)		D

     

6.

CO₂ laser Stark spectroscopy of the Coriolis-coupled ν₂ and ν₅ bands of CD₃Br     

Kensuke Harada  Keiichi Tanaka  Takehiko Tanaka 《Journal of Molecular Spectroscopy》1983,98(2):349-374

The ν₂ (CD₃ symmetrical deformation) and ν₅ (CD₃ degenerate deformation) fundamental bands of CD₃Br were studied by 9.4- and 10.4-μm CO₂ laser Stark spectroscopy. Stark resonances originating from 28 and 53 rovibrational transitions of the ν₂ and ν₅ bands, respectively, were assigned for each of the isotopic species, CD₃⁷⁹Br and CD₃⁸¹Br. These two bands were simultaneously analyzed with explicit inclusion of the ν₂-ν₅ Coriolis interaction, yielding precise molecular constants in the ν₂ and ν₅ excited states as well as the Coriolis coupling constant. The molecular constants obtained are consistent between the two isotopic species and are in good agreement with the results of high-resolution infrared studies. The band origins and dipole moments are

	$\text{ν}{}_4$ CF2CH2	$\text{ν}{}_9$ CF2CH2
$\text{ν}{}_0$	925.7692 (2)	953.8057 (2)	cm?1
$\text{A}$	10 971.99 (2)	11 026.918 (6)	MHz
$\text{B}$	10 414.98 (2)	10 436.381 (6)	MHz
$\text{C}$	5328.48 (2)	5346.100 (6)	MHz
μ	1.382 (1)	1.382 (1)	D
$\text{μ - μ}{}_0$	0.014 (2)	0.004 (1)	D

     

7.

V₂CO₂MXene从CO₂/N₂混合气体中选择性吸附CO₂的第一性原理计算     

于恒懿  王军凯  黄珍霞  孟浩  于书敏  李韬 《原子与分子物理学报》2023,40(6):061006-52

二氧化碳作为温室气体中最重要的组成部分,其含量的变化将直接影响全球气候变化,在燃烧后气体中选择性捕获CO₂,对减缓因CO₂浓度过高引发的环境问题具有十分重要的意义.本文采用第一性原理计算的方法,研究了V₂CO₂ MXene材料对CO₂的选择性吸附性能.首先研究了不同官能团V₂CT_X MXene材料的结构和性质,发现V₂CO₂具有良好的稳定性.后研究了V₂CO₂对CO₂的吸附行为,结果表明,当CO₂被水平吸附时,V₂CO₂对CO₂气体分子的吸附能力较强且均满足在高性能吸附剂表面吸附CO₂的理想值(-0.42 eV-0.82 eV),可以适用于探测/捕获CO₂气体分子.此外,进一步研究了相同条件下V<...     

8.

Sensitive detection of temperature behind reflected shock waves using wavelength modulation spectroscopy of CO₂ near 2.7?μm     

A. Farooq  J. B. Jeffries  R. K. Hanson 《Applied physics. B, Lasers and optics》2009,96(1):161-173

Tunable diode-laser absorption of CO₂ near 2.7 μm incorporating wavelength modulation spectroscopy with second-harmonic detection (WMS-2f) is used to provide a new sensor for sensitive and accurate measurement of the temperature behind reflected shock waves in a shock-tube. The temperature is inferred from the ratio of 2f signals for two selected absorption transitions, at 3633.08 and 3645.56 cm⁻¹, belonging to the ν ₁+ν ₃ combination vibrational band of CO₂ near 2.7 μm. The modulation depths of 0.078 and 0.063 cm⁻¹ are optimized for the target conditions of the shock-heated gases (P∼1–2 atm, T∼800–1600 K). The sensor is designed to achieve a high sensitivity to the temperature and a low sensitivity to cold boundary-layer effects and any changes in gas pressure or composition. The fixed-wavelength WMS-2f sensor is tested for temperature and CO₂ concentration measurements in a heated static cell (600–1200 K) and in non-reactive shock-tube experiments (900–1700 K) using CO₂–Ar mixtures. The relatively large CO₂ absorption strength near 2.7 μm and the use of a WMS-2f strategy minimizes noise and enables measurements with lower concentration, higher accuracy, better sensitivity and improved signal-to-noise ratio (SNR) relative to earlier work, using transitions in the 1.5 and 2.0 μm CO₂ combination bands. The standard deviation of the measured temperature histories behind reflected shock waves is less than 0.5%. The temperature sensor is also demonstrated in reactive shock-tube experiments of n-heptane oxidation. Seeding of relatively inert CO₂ in the initial fuel-oxidizer mixture is utilized to enable measurements of the pre-ignition temperature profiles. To our knowledge, this work represents the first application of wavelength modulation spectroscopy to this new class of diode lasers near 2.7 μm.     

9.

Tunable diode laser measurement of pressure-induced shift coefficients of CO₂ around 2.05 μm for Lidar application     

Jing Song Li  Julien Cousin  Bertrand Parvitte  Fabien Gibert 《Journal of Quantitative Spectroscopy & Radiative Transfer》2011,112(9):1411-1419

Atmospheric carbon dioxide (CO₂) is one of the main contributors to the greenhouse effect. A global monitoring of CO₂ from space is foreseen as a key issue to quantify its sources and sinks at a regional scale and to better predict future levels of CO₂ and their effect on climate change. Differential Absorption Lidar (DiAL) is a promising and novel spectroscopic technique for remote sensing CO₂ spatial and temporal concentration distribution with a high level of accuracy. However, a precise knowledge of spectroscopic parameters of CO₂ molecular transitions and their dependence with temperature and pressure is required for reducing the uncertainty on DiAl measurements. Hence, to support remote sensing of carbon dioxide in the troposphere, we report on the accurate determination of air pressure-induced shift coefficients for eight absorption lines belonging to the R branch of (20⁰1)_III←(00⁰0)_I band of CO₂ at 2.05 μm. Purposely, a high-resolution tunable diode laser absorption spectrometer (TDLAS) coupled to a cryogenically cooled optical cell was implemented. From these measurements, we have further determined the temperature-dependencies of the air pressure-induced shift coefficients.     

10.

O₂/CO₂气氛下循环流化床煤燃烧SO₂排放     

段伦博  周骛  屈成锐  陈晓平  赵长遂 《工程热物理学报》2012,(1):151-154

在热输入功率50 kW的循环流化床O₂/CO₂燃烧试验装置上研究燃煤SO₂排放特性及石灰石脱硫机理。结果发现,未添加石灰石时,O₂/CO₂气氛下SO₂排放量比相同O₂浓度的空气气氛下低;随着O₂浓度的升高,排放量升高。相同钙硫摩尔比下,O₂/CO₂气氛下石灰石的脱硫机理以直接脱硫为主,脱硫效率比空气气氛下高;随着O₂浓度的增加,石灰石脱硫效率提高。     

11.

Luminescent properties of Sr₅(PO₄)₃ Cl:Eu²⁺, Mn²⁺ as?a?potential phosphor for UV-LED-based white LEDs     

C. Guo  L. Luan  X. Ding  F. Zhang  F. G. Shi  F. Gao  L. Liang 《Applied physics. B, Lasers and optics》2009,95(4):779-785

Eu²⁺ and Mn²⁺ co-activated Sr₅(PO₄)₃Cl phosphors with blue and orange color double emission bands, under a broad-band excitation wavelength range of 340–400 nm, were synthesized by the solid-state reaction. It was found that the processing parameters, including the fluxes, annealing time and activators concentrations, affect the emission intensity and other luminescent properties. Energy transfer between Eu²⁺ and Mn²⁺ was discovered and the transfer efficiency was also estimated based on relative intensities of Eu²⁺ and Mn²⁺ emission. Thus the relative strength of blue and orange emission intensities could be tuned by varying the relative concentration of Eu²⁺ and Mn²⁺. Since the photoluminescence excitation spectra of the newly developed Sr₅(PO₄)₃Cl:Eu²⁺, Mn²⁺ phosphors exhibit a strong absorption in the range of 340–400 nm, they are promising for producing UV-LED-based white LEDs.     

12.

CO₂激光调Q技术     

徐艳  谢冀江  李殿军  杨贵龙  陈飞 《中国光学》2014,7(2):196-207

调Q技术是实现小型CO₂激光器短脉冲输出的重要手段,近年来随着短脉冲CO₂激光器在激光测距、测速、成像雷达、环境探测、空间通讯及激光与物质相互作用等领域应用需求的不断增长,激光调Q技术越来越受到国内外专家的关注而成为红外激光技术的研究热点之一。本文就目前用于CO₂激光器中实现短脉冲输出的5种主要调Q技术（机械调Q技术、电光调Q技术、声光调Q技术、被动调Q技术、复合调Q技术）的国内外发展历程和现状进行了综合评述,总结分析了各种方法的关键技术和存在的问题,并简要分析了该技术的未来发展趋势。     

13.

Infrared diode laser spectroscopy of O₂–N₂O van der Waals complex in the v₁ symmetric stretch region of N₂O          下载免费PDF全文

李松  郑锐  段传喜 《中国物理 B》2014,(12):137-141

The rovibrational spectrum of O2–N2O van der Waals complex is measured in the ν1 symmetric stretch region of N2 O monomer using a tunable diode laser spectrometer. The complex is generated by a slit-pulsed supersonic expansion with gas mixtures of O2, N2 O, and He. Both a- and b-type transitions are observed. The effective Hamiltonian for an open-shell complex consisting of a diatomic molecule in a ^3Σ electronic state and a closed-shell partner is used to analyze the observed spectrum. Molecular constants in the vibrationally excited state are determined accurately. The band-origin of the spectrum is determined to be 1284.7504（25） cm^-1, red-shifted from that of the N2 O monomer by ～ 0.1529 cm^-1.     

14.

The ν₁₂ band of C₂D₄     

T.L. Tan  M.G. Gabona  G.B. Lebron 《Journal of Molecular Spectroscopy》2011,266(2):113-115

The Fourier transform infrared (FTIR) absorption spectrum of the ν₁₂ fundamental band of ethylene-d₄ (C₂D₄) was recorded in the 1017-1137 cm⁻¹ region with an unapodized resolution of 0.0063 cm⁻¹. Upper state (v₁₂ = 1) rovibrational constants consisting of three rotational and five quartic constants were improved by assigning and fitting 2103 infrared transitions using Watson’s A-reduced Hamiltonian in the I^r representation. The band centre of the A-type ν₁₂ band is found to be 1076.98480 ± 0.00002 cm⁻¹. The present analysis covering a wider wavenumber range and higher J and K_c values yielded upper state constants including the band centre which are more accurate than previously reported. The rms deviation of the upper state fit is 0.00045 cm⁻¹. Improved ground state rovibrational constants were also determined from the fit of 1247 ground state combination differences (GSCD) from the presently-assigned infrared transitions of the ν₁₂ band of C₂D₄. The rms deviation of the GSCD fit is 0.00049 cm⁻¹. In the rovibrational analysis, local frequency perturbations were not detected even at high J and K_a values. The calculated inertial defect Δ₁₂ is 0.32551 ± 0.00001 μŲ. The line intensities of the individual transitions in the ν₁₂ band were measured and the band strength of 39.8 ± 2.0 cm⁻² atm⁻¹ was derived for the ν₁₂ band of C₂D₄.     

15.

The 2ν₄ overtone bands of FClO₃     

E. Cané  K. Burczyk 《Journal of Molecular Spectroscopy》2010,262(1):16-21

The high resolution infrared spectrum of the mono-isotopic species F³⁵Cl¹⁶O₃ has been studied in the region of the 2ν₄ overtone, from 2560 to 2680 cm⁻¹. The perpendicular component is strong and clearly observed while the parallel component is very weak and almost completely hidden by the perpendicular one. Their origins differ by 12.6 cm⁻¹, the being located at higher wavenumbers. The band is perturbed by the anharmonic interaction between the v₄ = 2, l₄ = ?2 and v₂ = v₄ = v₅ = 1, l₄ = l₅ = ±1 excited states, both of E symmetry. In total 3157 transitions have been assigned, 83% of these to , 12% to , and 5% to . The three bands have been analyzed simultaneously, taking into account the Fermi resonance effective between the excited states of E symmetry. The ro-vibration parameters of the excited states have been obtained, including the deperturbed band origins of and , at 2628.5890(4) and 2619.3342(5) cm⁻¹, respectively. The W₂₄₅ anharmonic constant is equal to 4.0161(4) cm⁻¹. The x₄₄+g₄₄ and x₂₄+x₄₅+g₄₅ anharmonicity constants have been derived from the obtained band origins and those of ν₄ and ν₂ + ν₅.     

16.

Total cross sections for scattering of electrons from O₂, H₂O, H₂, O₃, CO and CO₂ at 100－2000eV          下载免费PDF全文

施德恒  孔金锋  杨向东  朱遵略  刘玉芳 《中国物理》2004,13(7):1018-1024

A complex optical model potential rewritten by the concept of bonded atom, which considers the overlap of electron clouds, is employed to calculate the total cross sections for electron scattering from several simple molecules (O_2, H_2O, H_2, O_3, CO and CO_2) consisting of C, H and O atoms in an incident energy range of 100－2000eV by the use of the additivity rule at Hartree－Fock level. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses the bonded-atom concept. The quantitative molecular total cross section results are compared with experimental data and with the other calculations wherever available and good agreement is obtained. It is shown that the additivity rule along with the complex optical model potential rewritten by the concept of bonded atom can be used successfully to calculate the total cross section of electron－molecule scattering above 100eV, whereas the rule together with the complex optical model potential not rewritten by the concept of bonded atom is only successfully used above 300－500eV. So, the introduction of the bonded-atom concept in the complex optical potential can improve the accuracy of the total cross section calculations.     

17.

Effects of O₂–CO₂ polarization beating on femtosecond coherent anti-Stokes Raman scattering (fs-CARS) spectroscopy of O₂     

W. D. Kulatilaka  J. R. Gord  S. Roy 《Applied physics. B, Lasers and optics》2011,102(1):141-147

Femtosecond coherent anti-Stokes Raman scattering (fs-CARS) spectroscopy has recently emerged as a promising laser-based temperature-measurement technique in flames. In fs-CARS, the broad spectral bandwidths of the pump and Stokes lasers permit the coupling of each ro-vibrational Raman transition via a large number of pump-Stokes photon pairs, creating a strong Raman coherence. However, the broad-bandwidth fs pulses also excite other molecular transitions that are in resonance. The polarization beating between these closely spaced Raman transitions can affect the coherence dephasing rate of the target molecule, making it difficult to extract accurate medium temperature. In a previous study our group investigated N₂/CO polarization beating in N₂ fs-CARS; in the present work we study O₂/CO₂ polarization beating in O₂ fs-CARS. O₂ fs-CARS can be particularly important for thermometry in non-air-breathing combustion in the absence of N₂. The effects of O₂/CO₂ polarization beating are investigated in the temperature range 300–900 K at atmospheric pressure and also at 300 K for pressures up to 10 bar. Unlike in the N₂/CO system, it was observed in the O₂/CO₂ system that the presence of CO₂ can significantly alter the time evolution of the Raman coherence and, hence, affect the measured temperature.     

18.

Cu掺杂纳米TiO₂光催化还原CO₂实验研究     

田冲  张军营  赵永椿  郑楚光 《工程热物理学报》2012,(2):356-360

利用溶胶凝胶法制备不同掺杂量的CuO-TiO₂纳米粉体,采用热重差热分析仪（TG-DTA）,X射线衍射仪（XRD）,场发射扫描电镜（FSEM-EDX）等手段对其进行表征;在波长为253.7nm的紫外灯照射下,进行CO₂光催化还原实验研究,探究CO₂光催化资源化利用可行性,。结果表明,溶胶凝胶法制备所得CuO掺杂TiO₂纳米粉体,粒径大小在20～30 nm之间;CO₂光催化还原主要产物为甲醇,掺杂量为5%（质量分数）CnO-TiO₂纳米粉体催化效果最好,反应10 h后得到甲醇产量为27mg·（g-cata）^-1;随着反应时间的增加,产物中甲醇含量也逐渐增加。     

19.

The 2ν₁, 2ν₂ and 2ν₃ overtones of FClO₃     

E. Cané  G. Pawelke 《Journal of Molecular Spectroscopy》2007,244(1):24-32

The infrared spectra of the 2ν₁, 2ν₂ and 2ν₃ overtones of perchloryl fluoride, FClO₃, have been recorded at high resolution using monoisotopic pure samples. Four symmetric top species have been investigated: F³⁵Cl¹⁶O₃, F³⁷Cl¹⁶O₃, F³⁵Cl¹⁸O₃ and F³⁷Cl¹⁸O₃. The v_i = 2, i = 1, 2, 3 vibrationally excited states are totally symmetric, so these overtones correspond to parallel bands of medium/weak intensity, centered from 2010 to 2120 cm⁻¹ (2ν₁), from 1390 to 1430 cm⁻¹ (2ν₂) and from 1070 to 1100 cm⁻¹ (2ν₃). Most of the bands are unperturbed and their analysis was straightforward. The band origins, the rotational and centrifugal molecular constants in the v₁ = 2, v₂ = 2 and v₃ = 2 states have been determined, with standard deviations of the fits from 0.00024 to 0.00067 cm⁻¹. The 2ν₁ overtones of F³⁵Cl¹⁶O₃ and F³⁷Cl¹⁶O₃ are perturbed by an A₁/E Coriolis resonance between the v₁ = 2 state and one E component of the v₄ = 1, v₆ = 2 manifold. The 2ν₂ of F³⁷Cl¹⁸O₃ is perturbed by the same kind of interaction involving the v₁ = v₆ = 1 (E) state, at about 1396 cm⁻¹. In these bands the resonance is localized on rotational levels with specific J and K values. As a consequence, a few transitions of the perpendicular bands involving the interacting levels could be identified in the spectra. A simultaneous fit of the transitions assigned to the dyads has been performed and the parameters of the excited states have been determined, including the high order Coriolis interaction coefficient . The anharmonic constants x₁₁, x₂₂, x₃₃ of all the studied isotopologues of FClO₃, x₄₆ of F³⁵Cl¹⁶O₃, x₄₆ + g₄₆ of F³⁷Cl¹⁶O₃ and x₁₆ of F³⁷Cl¹⁸O₃, have been derived.     

20.

电场作用下S修饰C₂₄N₂₄从CO₂/N₂混合气体中选择性吸附CO₂的第一性原理计算     

张世轩  王岚  王向岭  张淑洁  邢盈盈  王军凯 《原子与分子物理学报》2022,(2):7-15

在燃烧后气体中选择性捕获CO₂,对减缓因CO₂浓度过高引发的环境问题具有十分重要的意义.本文采用第一性原理计算的方法,研究了外加电场作用下S修饰C₂₄N₂₄富勒烯(S@C₂₄N₂₄)对CO₂的选择性吸附性能.首先研究了S@C₂₄N₂₄的结构和性质,发现其具有良好的稳定性.其次,研究了无电场时S@C₂₄N₂₄对CO₂的吸附行为,发现其吸附为弱的物理吸附.另外,进一步研究了外加电场作用下S@C₂₄N₂₄对CO₂的吸附行为.结果表明,结合距离(CO₂与S)和CO₂的键角(O=C=O)随电场的增大而减小;当电场增加到0.018 a.u.时,物理吸附转变为化学吸附.关闭电场时,化学吸附又转化为物理吸附.此外,即使在相同的电场条件...     

		CD379Br		CD381Br
$\text{ν}{}_2$		991.396 82 (18)		991.388 46 (17)		cm?1
$\text{ν}{}_5$		1055.469 00 (12)		1055.466 32 (12)		cm?1
$\text{μ}{}_0$		1.830 42 (52)		1.829 84 (47)		D
$\text{μ}{}_2$		1.829 93 (48)		1.829 57 (46)		D
$\text{μ}{}_5$		1.832 23 (60)		1.831 19 (56)		D

Molecular relaxations in mixtures of O2 with CO2 observed on?laser-induced gratings

Laser-induced gratings in mixtures of O₂ with CO₂ were formed by excitation of the O₂ molecules to the singlet state b ¹ Σ _g ⁺(v′=0). Density changes from heat release and from electrostriction, and variation of electric polarizability by excitation of molecules contribute to the grating. For modeling the relaxation of the excited O₂ molecules, a three-step process is assumed: Fast heat release with respect to the rotational states first, then medium fast electronic de-activation with excitation of vibrational states of the O₂ and CO₂ molecules, and then the final slow heat release processes. The observed temporal evolution of the diffraction efficiency of the grating agrees rather well with modeling. Average rates of the final relaxations and the value of the polarizability of the singlet state b ¹ Σ _g ⁺(v′=0) are determined in this way.     

CO2 and N2O laser Stark spectroscopy of the ν1 band of the ClO2 radical

The ν₁ fundamental band of the ClO₂ radical has been studied by means of the 10.6-μm CO₂ and N₂O laser Stark spectroscopy. More than 250 and 150 Stark resonances were assigned for the ³⁵ClO₂ and ³⁷ClO₂ species, respectively, and were analyzed together with the recent microwave and laser-microwave double resonance results to give molecular constants including spin-rotation interaction constants. The ν₁ band origins and electric dipole moments both in the ground and ν₁ states were determined accurately

The 10.4 μm CO2 laser Stark spectra of the ν4 and the ν9 bands of 1,1 difluoroethylene

The ν₄ and the ν₉ bands of CF₂CH₂ have been studied using coincidences with the 10.4 μm band of the CO₂ laser and the 10.9 μm band of the N₂O laser. These resonances have been analyzed, together with recent microwave results, to give the following vibration-rotation parameters and dipole moments in the ν₄ and ν₉ states

CO2 laser Stark spectroscopy of the Coriolis-coupled ν2 and ν5 bands of CD3Br

The ν₂ (CD₃ symmetrical deformation) and ν₅ (CD₃ degenerate deformation) fundamental bands of CD₃Br were studied by 9.4- and 10.4-μm CO₂ laser Stark spectroscopy. Stark resonances originating from 28 and 53 rovibrational transitions of the ν₂ and ν₅ bands, respectively, were assigned for each of the isotopic species, CD₃⁷⁹Br and CD₃⁸¹Br. These two bands were simultaneously analyzed with explicit inclusion of the ν₂-ν₅ Coriolis interaction, yielding precise molecular constants in the ν₂ and ν₅ excited states as well as the Coriolis coupling constant. The molecular constants obtained are consistent between the two isotopic species and are in good agreement with the results of high-resolution infrared studies. The band origins and dipole moments are

V2CO2MXene从CO2/N2混合气体中选择性吸附CO2的第一性原理计算

二氧化碳作为温室气体中最重要的组成部分,其含量的变化将直接影响全球气候变化,在燃烧后气体中选择性捕获CO₂,对减缓因CO₂浓度过高引发的环境问题具有十分重要的意义.本文采用第一性原理计算的方法,研究了V₂CO₂ MXene材料对CO₂的选择性吸附性能.首先研究了不同官能团V₂CT_X MXene材料的结构和性质,发现V₂CO₂具有良好的稳定性.后研究了V₂CO₂对CO₂的吸附行为,结果表明,当CO₂被水平吸附时,V₂CO₂对CO₂气体分子的吸附能力较强且均满足在高性能吸附剂表面吸附CO₂的理想值(-0.42 eV-0.82 eV),可以适用于探测/捕获CO₂气体分子.此外,进一步研究了相同条件下V<...     

Sensitive detection of temperature behind reflected shock waves using wavelength modulation spectroscopy of CO2 near 2.7?μm

Tunable diode-laser absorption of CO₂ near 2.7 μm incorporating wavelength modulation spectroscopy with second-harmonic detection (WMS-2f) is used to provide a new sensor for sensitive and accurate measurement of the temperature behind reflected shock waves in a shock-tube. The temperature is inferred from the ratio of 2f signals for two selected absorption transitions, at 3633.08 and 3645.56 cm⁻¹, belonging to the ν ₁+ν ₃ combination vibrational band of CO₂ near 2.7 μm. The modulation depths of 0.078 and 0.063 cm⁻¹ are optimized for the target conditions of the shock-heated gases (P∼1–2 atm, T∼800–1600 K). The sensor is designed to achieve a high sensitivity to the temperature and a low sensitivity to cold boundary-layer effects and any changes in gas pressure or composition. The fixed-wavelength WMS-2f sensor is tested for temperature and CO₂ concentration measurements in a heated static cell (600–1200 K) and in non-reactive shock-tube experiments (900–1700 K) using CO₂–Ar mixtures. The relatively large CO₂ absorption strength near 2.7 μm and the use of a WMS-2f strategy minimizes noise and enables measurements with lower concentration, higher accuracy, better sensitivity and improved signal-to-noise ratio (SNR) relative to earlier work, using transitions in the 1.5 and 2.0 μm CO₂ combination bands. The standard deviation of the measured temperature histories behind reflected shock waves is less than 0.5%. The temperature sensor is also demonstrated in reactive shock-tube experiments of n-heptane oxidation. Seeding of relatively inert CO₂ in the initial fuel-oxidizer mixture is utilized to enable measurements of the pre-ignition temperature profiles. To our knowledge, this work represents the first application of wavelength modulation spectroscopy to this new class of diode lasers near 2.7 μm.     

Tunable diode laser measurement of pressure-induced shift coefficients of CO2 around 2.05 μm for Lidar application

Atmospheric carbon dioxide (CO₂) is one of the main contributors to the greenhouse effect. A global monitoring of CO₂ from space is foreseen as a key issue to quantify its sources and sinks at a regional scale and to better predict future levels of CO₂ and their effect on climate change. Differential Absorption Lidar (DiAL) is a promising and novel spectroscopic technique for remote sensing CO₂ spatial and temporal concentration distribution with a high level of accuracy. However, a precise knowledge of spectroscopic parameters of CO₂ molecular transitions and their dependence with temperature and pressure is required for reducing the uncertainty on DiAl measurements. Hence, to support remote sensing of carbon dioxide in the troposphere, we report on the accurate determination of air pressure-induced shift coefficients for eight absorption lines belonging to the R branch of (20⁰1)_III←(00⁰0)_I band of CO₂ at 2.05 μm. Purposely, a high-resolution tunable diode laser absorption spectrometer (TDLAS) coupled to a cryogenically cooled optical cell was implemented. From these measurements, we have further determined the temperature-dependencies of the air pressure-induced shift coefficients.     

O2/CO2气氛下循环流化床煤燃烧SO2排放

在热输入功率50 kW的循环流化床O₂/CO₂燃烧试验装置上研究燃煤SO₂排放特性及石灰石脱硫机理。结果发现,未添加石灰石时,O₂/CO₂气氛下SO₂排放量比相同O₂浓度的空气气氛下低;随着O₂浓度的升高,排放量升高。相同钙硫摩尔比下,O₂/CO₂气氛下石灰石的脱硫机理以直接脱硫为主,脱硫效率比空气气氛下高;随着O₂浓度的增加,石灰石脱硫效率提高。     

Luminescent properties of Sr5(PO4)3 Cl:Eu2+, Mn2+ as?a?potential phosphor for UV-LED-based white LEDs

Eu²⁺ and Mn²⁺ co-activated Sr₅(PO₄)₃Cl phosphors with blue and orange color double emission bands, under a broad-band excitation wavelength range of 340–400 nm, were synthesized by the solid-state reaction. It was found that the processing parameters, including the fluxes, annealing time and activators concentrations, affect the emission intensity and other luminescent properties. Energy transfer between Eu²⁺ and Mn²⁺ was discovered and the transfer efficiency was also estimated based on relative intensities of Eu²⁺ and Mn²⁺ emission. Thus the relative strength of blue and orange emission intensities could be tuned by varying the relative concentration of Eu²⁺ and Mn²⁺. Since the photoluminescence excitation spectra of the newly developed Sr₅(PO₄)₃Cl:Eu²⁺, Mn²⁺ phosphors exhibit a strong absorption in the range of 340–400 nm, they are promising for producing UV-LED-based white LEDs.     

CO2激光调Q技术

调Q技术是实现小型CO₂激光器短脉冲输出的重要手段,近年来随着短脉冲CO₂激光器在激光测距、测速、成像雷达、环境探测、空间通讯及激光与物质相互作用等领域应用需求的不断增长,激光调Q技术越来越受到国内外专家的关注而成为红外激光技术的研究热点之一。本文就目前用于CO₂激光器中实现短脉冲输出的5种主要调Q技术（机械调Q技术、电光调Q技术、声光调Q技术、被动调Q技术、复合调Q技术）的国内外发展历程和现状进行了综合评述,总结分析了各种方法的关键技术和存在的问题,并简要分析了该技术的未来发展趋势。     

Infrared diode laser spectroscopy of O2–N2O van der Waals complex in the v1 symmetric stretch region of N2O

The rovibrational spectrum of O2–N2O van der Waals complex is measured in the ν1 symmetric stretch region of N2 O monomer using a tunable diode laser spectrometer. The complex is generated by a slit-pulsed supersonic expansion with gas mixtures of O2, N2 O, and He. Both a- and b-type transitions are observed. The effective Hamiltonian for an open-shell complex consisting of a diatomic molecule in a ^3Σ electronic state and a closed-shell partner is used to analyze the observed spectrum. Molecular constants in the vibrationally excited state are determined accurately. The band-origin of the spectrum is determined to be 1284.7504（25） cm^-1, red-shifted from that of the N2 O monomer by ～ 0.1529 cm^-1.     

The ν12 band of C2D4

The Fourier transform infrared (FTIR) absorption spectrum of the ν₁₂ fundamental band of ethylene-d₄ (C₂D₄) was recorded in the 1017-1137 cm⁻¹ region with an unapodized resolution of 0.0063 cm⁻¹. Upper state (v₁₂ = 1) rovibrational constants consisting of three rotational and five quartic constants were improved by assigning and fitting 2103 infrared transitions using Watson’s A-reduced Hamiltonian in the I^r representation. The band centre of the A-type ν₁₂ band is found to be 1076.98480 ± 0.00002 cm⁻¹. The present analysis covering a wider wavenumber range and higher J and K_c values yielded upper state constants including the band centre which are more accurate than previously reported. The rms deviation of the upper state fit is 0.00045 cm⁻¹. Improved ground state rovibrational constants were also determined from the fit of 1247 ground state combination differences (GSCD) from the presently-assigned infrared transitions of the ν₁₂ band of C₂D₄. The rms deviation of the GSCD fit is 0.00049 cm⁻¹. In the rovibrational analysis, local frequency perturbations were not detected even at high J and K_a values. The calculated inertial defect Δ₁₂ is 0.32551 ± 0.00001 μŲ. The line intensities of the individual transitions in the ν₁₂ band were measured and the band strength of 39.8 ± 2.0 cm⁻² atm⁻¹ was derived for the ν₁₂ band of C₂D₄.     

The 2ν4 overtone bands of FClO3

The high resolution infrared spectrum of the mono-isotopic species F³⁵Cl¹⁶O₃ has been studied in the region of the 2ν₄ overtone, from 2560 to 2680 cm⁻¹. The perpendicular component is strong and clearly observed while the parallel component is very weak and almost completely hidden by the perpendicular one. Their origins differ by 12.6 cm⁻¹, the being located at higher wavenumbers. The band is perturbed by the anharmonic interaction between the v₄ = 2, l₄ = ?2 and v₂ = v₄ = v₅ = 1, l₄ = l₅ = ±1 excited states, both of E symmetry. In total 3157 transitions have been assigned, 83% of these to , 12% to , and 5% to . The three bands have been analyzed simultaneously, taking into account the Fermi resonance effective between the excited states of E symmetry. The ro-vibration parameters of the excited states have been obtained, including the deperturbed band origins of and , at 2628.5890(4) and 2619.3342(5) cm⁻¹, respectively. The W₂₄₅ anharmonic constant is equal to 4.0161(4) cm⁻¹. The x₄₄+g₄₄ and x₂₄+x₄₅+g₄₅ anharmonicity constants have been derived from the obtained band origins and those of ν₄ and ν₂ + ν₅.     

Total cross sections for scattering of electrons from O2, H2O, H2, O3, CO and CO2 at 100－2000eV

A complex optical model potential rewritten by the concept of bonded atom, which considers the overlap of electron clouds, is employed to calculate the total cross sections for electron scattering from several simple molecules (O_2, H_2O, H_2, O_3, CO and CO_2) consisting of C, H and O atoms in an incident energy range of 100－2000eV by the use of the additivity rule at Hartree－Fock level. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses the bonded-atom concept. The quantitative molecular total cross section results are compared with experimental data and with the other calculations wherever available and good agreement is obtained. It is shown that the additivity rule along with the complex optical model potential rewritten by the concept of bonded atom can be used successfully to calculate the total cross section of electron－molecule scattering above 100eV, whereas the rule together with the complex optical model potential not rewritten by the concept of bonded atom is only successfully used above 300－500eV. So, the introduction of the bonded-atom concept in the complex optical potential can improve the accuracy of the total cross section calculations.     

Effects of O2–CO2 polarization beating on femtosecond coherent anti-Stokes Raman scattering (fs-CARS) spectroscopy of O2

Femtosecond coherent anti-Stokes Raman scattering (fs-CARS) spectroscopy has recently emerged as a promising laser-based temperature-measurement technique in flames. In fs-CARS, the broad spectral bandwidths of the pump and Stokes lasers permit the coupling of each ro-vibrational Raman transition via a large number of pump-Stokes photon pairs, creating a strong Raman coherence. However, the broad-bandwidth fs pulses also excite other molecular transitions that are in resonance. The polarization beating between these closely spaced Raman transitions can affect the coherence dephasing rate of the target molecule, making it difficult to extract accurate medium temperature. In a previous study our group investigated N₂/CO polarization beating in N₂ fs-CARS; in the present work we study O₂/CO₂ polarization beating in O₂ fs-CARS. O₂ fs-CARS can be particularly important for thermometry in non-air-breathing combustion in the absence of N₂. The effects of O₂/CO₂ polarization beating are investigated in the temperature range 300–900 K at atmospheric pressure and also at 300 K for pressures up to 10 bar. Unlike in the N₂/CO system, it was observed in the O₂/CO₂ system that the presence of CO₂ can significantly alter the time evolution of the Raman coherence and, hence, affect the measured temperature.     

Cu掺杂纳米TiO2光催化还原CO2实验研究

利用溶胶凝胶法制备不同掺杂量的CuO-TiO₂纳米粉体,采用热重差热分析仪（TG-DTA）,X射线衍射仪（XRD）,场发射扫描电镜（FSEM-EDX）等手段对其进行表征;在波长为253.7nm的紫外灯照射下,进行CO₂光催化还原实验研究,探究CO₂光催化资源化利用可行性,。结果表明,溶胶凝胶法制备所得CuO掺杂TiO₂纳米粉体,粒径大小在20～30 nm之间;CO₂光催化还原主要产物为甲醇,掺杂量为5%（质量分数）CnO-TiO₂纳米粉体催化效果最好,反应10 h后得到甲醇产量为27mg·（g-cata）^-1;随着反应时间的增加,产物中甲醇含量也逐渐增加。     

The 2ν1, 2ν2 and 2ν3 overtones of FClO3

The infrared spectra of the 2ν₁, 2ν₂ and 2ν₃ overtones of perchloryl fluoride, FClO₃, have been recorded at high resolution using monoisotopic pure samples. Four symmetric top species have been investigated: F³⁵Cl¹⁶O₃, F³⁷Cl¹⁶O₃, F³⁵Cl¹⁸O₃ and F³⁷Cl¹⁸O₃. The v_i = 2, i = 1, 2, 3 vibrationally excited states are totally symmetric, so these overtones correspond to parallel bands of medium/weak intensity, centered from 2010 to 2120 cm⁻¹ (2ν₁), from 1390 to 1430 cm⁻¹ (2ν₂) and from 1070 to 1100 cm⁻¹ (2ν₃). Most of the bands are unperturbed and their analysis was straightforward. The band origins, the rotational and centrifugal molecular constants in the v₁ = 2, v₂ = 2 and v₃ = 2 states have been determined, with standard deviations of the fits from 0.00024 to 0.00067 cm⁻¹. The 2ν₁ overtones of F³⁵Cl¹⁶O₃ and F³⁷Cl¹⁶O₃ are perturbed by an A₁/E Coriolis resonance between the v₁ = 2 state and one E component of the v₄ = 1, v₆ = 2 manifold. The 2ν₂ of F³⁷Cl¹⁸O₃ is perturbed by the same kind of interaction involving the v₁ = v₆ = 1 (E) state, at about 1396 cm⁻¹. In these bands the resonance is localized on rotational levels with specific J and K values. As a consequence, a few transitions of the perpendicular bands involving the interacting levels could be identified in the spectra. A simultaneous fit of the transitions assigned to the dyads has been performed and the parameters of the excited states have been determined, including the high order Coriolis interaction coefficient . The anharmonic constants x₁₁, x₂₂, x₃₃ of all the studied isotopologues of FClO₃, x₄₆ of F³⁵Cl¹⁶O₃, x₄₆ + g₄₆ of F³⁷Cl¹⁶O₃ and x₁₆ of F³⁷Cl¹⁸O₃, have been derived.     

电场作用下S修饰C24N24从CO2/N2混合气体中选择性吸附CO2的第一性原理计算

在燃烧后气体中选择性捕获CO₂,对减缓因CO₂浓度过高引发的环境问题具有十分重要的意义.本文采用第一性原理计算的方法,研究了外加电场作用下S修饰C₂₄N₂₄富勒烯(S@C₂₄N₂₄)对CO₂的选择性吸附性能.首先研究了S@C₂₄N₂₄的结构和性质,发现其具有良好的稳定性.其次,研究了无电场时S@C₂₄N₂₄对CO₂的吸附行为,发现其吸附为弱的物理吸附.另外,进一步研究了外加电场作用下S@C₂₄N₂₄对CO₂的吸附行为.结果表明,结合距离(CO₂与S)和CO₂的键角(O=C=O)随电场的增大而减小;当电场增加到0.018 a.u.时,物理吸附转变为化学吸附.关闭电场时,化学吸附又转化为物理吸附.此外,即使在相同的电场条件...