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1.
The ν3 fundamental vibration-rotation band of carbon-13 enriched methane (13CH4) was recorded using a high-resolution vacuum infrared grating spectrograph. Forbidden transitions of this band are reported for the first time. Of the nearly 900 transitions identified, 560 are forbidden transitions and 347 of the forbidden transitions have 11 ≤ J ≤ 18. Pairs of forbidden and allowed transitions having the same upper-state energy levels were used to calculate 550 independent differences between ground-state term values. From these data, a least-squares analysis was used to calculate the following values for ground-state structure constants and their standard deviations (in cm?1):
βOhc = 5.240820 ± 0.000056
,
λOhc =?(1.0856 ± 0.0015) × 10?4
,
?Ohc = ?(1.4174 ± 0.0034) × 10?4
,
ηhc = ?(1.73 ± 0.37) × 10?11
. The 550 values for the ground-state combination differences retained for analysis can be reproduced with an overall standard deviation of 0.0155 using the stated values for the structure constants. The note added in proof refines the above constants by including the newly observed microwave data.  相似文献   

2.
Infrared spectra of OCS-C2H2 and OCS-C2D2 complexes in the region of the C-O stretching fundamental of OCS (∼2060 cm−1) are studied in a pulsed supersonic slit-jet expansion using a tunable diode laser. For each complex, two bands are observed and assigned to distinct near-parallel and the T-shaped isomers. Ground state parameters were previously determined from microwave studies, so analysis of the infrared spectra gives information on the vibrational shifts upon complex formation as well as rotational and centrifugal distortion parameters for the excited states. All four bands show a red shift with respect to the monomer band origin, with the T-shaped isomer having a much larger shift than the near-parallel isomer. Disappearance of the T-shaped isomer when argon is used as a carrier gas supports the notion that the near-parallel isomer is the lowest energy form of the complex.  相似文献   

3.
The infrared spectral regions of the P-D stretching fundamental band ν2 and the first overtone band 2ν2 of PH2D were recorded with a resolution of 2.7×10−3 and , respectively. In the analysis about 710 and 440 transitions were assigned to the ν2 and 2ν2 bands. These provided 358 and 268 upper rovibrational energy terms, respectively. Resonance interactions between the states (010000) and (000200) were taken into account in the Hamiltonian used to fit upper energies of the (010000) state. The rovibrational energies of the (020000) state were fitted with a Hamiltonian for an isolated vibrational state.  相似文献   

4.
Two interacting vibrational modes ν6 and ν8 of 13C species of formic acid have been studied with high resolution FTIR spectroscopy in the range 900-1300 cm−1 with an instrumental resolution of 0.0018 cm−1. More than 10 000 lines have been assigned and fitted with a RMS deviation of 0.00024 cm−1. The band centers, as well as the rotational, quartic and sextic centrifugal distortion parameters and 6 interaction parameters have been determined. The obtained parameters have enabled the assignments of 24 FIR laser emissions of this molecule observed previously by Dangoisse and Glorieux [D. Dangoisse, P. Glorieux, J. Mol. Spectrosc. 92 (1982) 283-297], Luis et al. [G.M.R.S. Luis, E.M. Telles, A. Scalabrin, D. Pereira, IEEE J. Quantum. Electron. QE-34 (1998) 767-769], and Bertolini et al. [A. Bertolini, G. Carelli, C.A. Massa, A. Moretti, F. Strumia, Infrared Phys. Technol. 40 (1999) 33-36].  相似文献   

5.
The spectrum of the ν7 band of cis-ethylene-d2 (cis-C2H2D2) has been recorded with an unapodized resolution of 0.0063 cm−1 in the 740-950 cm−1 region using a Bruker IFS 125 HR Fourier transform infrared spectrometer. By fitting 2186 infrared transitions of ν7 with a standard deviation of 0.00060 cm−1 using a Watson’s A-reduced Hamiltonian in the Ir representation, accurate rovibrational constants for ν7 = 1 state have been derived. The band center of ν7 has been found to be 842.20957 ± 0.00004 cm−1. In a simultaneous fit of 1331 infrared ground state combination differences from the present ν7 transitions, together with 22 microwave frequencies, ground state constants have been improved. The rms deviation of the ground state fit was 0.00027 cm−1.  相似文献   

6.
Transition probabilities of the 2s2p^3 {}^5S_2-2s^22p^2 {}^3P_{1,2} intercombination transitions in NII have been calculated by using a large-scale multiconfiguration Dirac-Fock method. In the calculation the most important effects of relativity, correlation, and relaxation are considered. From the calculated transition probabilities, the lifetime of the 2s2p^3 {}^5S_2 metastable state is derived. The result is in excellent agreement with the latest experimental result. In the meantime the influence of anomalously strong relaxation effects on probabilities of the 2s2p^3 {}^5S_2-2s^22p^2 {}^3P_{1,2} lines in NII have been found.  相似文献   

7.
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
  相似文献   

8.
xCeO2–30Bi2O3–(70−x) B2O3 glasses are synthesized by using the melt quench technique. A number of studies such as XRD, density, molar volume, optical band gap, refractive index and FTIR spectroscopy are employed to characterize the glasses. The band gap decreases from 2.15 to 1.61 eV, refractive index increases from 2.67 to 2.93 and density increases from 4.151 to 4.633 g/cm3. The decrease in band gap with CeO2 doping approaches the semiconductor behavior. FTIR spectroscopy reveals that incorporation of CeO2 into glass network helps to convert the structural units of [BO3] into [BO4] and results in Bi–O bond vibration of [BiO6].  相似文献   

9.
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 vi = 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.  相似文献   

10.
Optical heterodyne magnetic rotation enhanced velocity modulation spectroscopy was employed to observe the visible absorption spectra of the B^2Σ^+_u-X^2Σ^+_g electronic transition of C^-_2. Four hot bands (0,1), (1,2), (2,3) and (3,4) have been observed and the band (3,4) is measured directly for the first time, so far as we know, by absorption. A rotational analysis was carried out to obtain molecular constants. With the Franck-Condon principle and the vibrational Boltzmann distribution, we have estimated the vibrational temperature of C^-_2 to be about 3000K.  相似文献   

11.
Previous studies of the parallel bands 2ν2 and 50 of CH3Br by the two first authors have been completed by the analysis of the weaker perpendicular band ν2 + ν5, centered near 2745 cm?1. It is well known that the v2 = 1 and v5 = 1 states of methylbromide are linked by an x-y-type Coriolis interaction. Therefore, in the 2500–2900-cm?1 range, the levels
(v2=2), (v52, l5=0), (v5=2, l5±2), (v5=v2=1, l=5±1)
are linked by a similar interaction. Least-squares and prediction programs have been written to treat this kind of problems and they have been satisfactorily applied to both isotopic species, CH379Br and CH381Br. A localized resonance in the K = 0 subband of ν2 + ν5 has been shown to be due to the 3ν3 + ν6 band. No evidence for a strong Fermi resonance between ν1 and 50 has been found.  相似文献   

12.
A 2Δ-2Π system of NiF has been obtained in emission from a “composite wall hollow cathode” in the blue region. High-dispersion rotational analysis has led to the following constants (in cm?1):
35ClO237ClO2
ν0945.592 357(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
  相似文献   

13.
The emission spectrum of the A 2 Π r -X 2 Σ + band system of MgCl molecule (360–380 nm) has been recorded on BOMEM DA8 Fourier transform spectrometer at an apodized resolution of 0.035 cm−1. The spectra have been excited under flowing conditions in a demountable stainless steel hollow cathode lamp (400 V, 250 mA) containing anhydrous MgCl2 and Ar. The resulting spectra are very intense and the 0-0, 1-1, 1-0 bands of A 2 Π 1/2-X 2 Σ + sub-transition and the 0-0 band of A 2 Π 3/2-X 2 Σ + sub-transition have been rotationally analyzed. Improved molecular constants have been derived using a least-squares fit program in which optical data of earlier analyzed 0-1 and 0-2 bands (A 2 Π 1/2-X 2 Σ +) was also included. The Λ-doubling constants in the v′ = 0, 1 levels of the A 2 Π 1/2 sub-state are as expected, i.e. p 1 > p 0, where as it is found that the spin-doubling constants of the v″ = 0, 1 and 2 levels of the ground state X 2 Σ +, decrease with the increase in v, i.e. γ 0 > γ 1 > γ 2. This is indicative of the presence of some nearby state, influencing the spin-doubling.  相似文献   

14.
The rocking curve of Tl-2212 thin films in Fig.2 of our original paper[1]should be replaced with the following new one.Accordingly,in the fifth paragraph of Section 3 of the original paper,the statement“The full width at half maximum(FWHM)of the(0012)peak of the Tl-2212 phase is about 0.24°”should be“The full width at half maximum(FWHM)of the(0012)peak of the Tl-2212 phase is about 0.42°”.  相似文献   

15.
Ta2O5/SiO2 and ZrO2/SiO2 high reflecting (HR) coatings are prepared by ion beam sputtering and electron beam evaporation, respectively. The laser-induced damage thresholds (LIDTs) of these samples are investigated with 2 μm femtosecond pulse lasers (80 fs, 1 kHz). It is found that the Ta2O5/SiO2 HR coating has a higher capability of laser damage resistance than the ZrO2/SiO2 HR coating in the 2 μm femtosecond regime. The scanning electron microscope results show that the damage sites of the ZrO2/SiO2 HR coating have a relatively porous structure, the loose structure of coatings will provide more sites for water molecules, and the LIDTs of HR coatings will be reduced as a result of the strong water absorption at the wavelength of 2 μm.  相似文献   

16.
Quasiparticle dynamics of an optimally doped Bi2Sr2CaCu2O8+δ single crystal is investigated by the femtosecond pump--probe technique. Temperaturedependences of amplitude of the photoinduced differential reflectivity and the relaxation time show the evidence of strong phonon bottleneck. The experimental results are analysed by the Rothwarf--Taylor model.  相似文献   

17.
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
2Π1/22Π3/22Δ3/22Δ5/2
B0.38610.38860.37720.3792
D × 1060.460.350.400.37
p0.154
pj?3.8 × 10-6
  相似文献   

18.
The influence of hydrothermal modification of γ-Al2O3 on the properties of NiMo/γ-Al2O3 catalyst was investigated in this paper. The experimental results showed that the use of the modified γ-Al2O3 in the preparation of the NiMo/γ-Al2O3 catalyst led to the increase of the dispersion of the surface Mo and Ni oxides, favored the formation of the poly-molybdates and promoted the reduction of the active Mo oxides owing to the increase of the surface acidity of the modified γ-Al2O3. Therefore, the NiMo/γ-Al2O3 catalyst supported on the modified γ-Al2O3 exhibited a higher hydrodenitrogenation (HDN) activity than that supported on the untreated γ-Al2O3 in the temperature range of 300-340 °C.  相似文献   

19.
TiO2, RuO2, and IrO2 transition metal oxides have many applications in the field of applied electrochemistry. In this work, the mixed solid solutions of TiO2–RuO2–IrO2 coatings have been electrodeposited from aqueous–unaqueous baths.  相似文献   

20.
The Fourier transform infrared (FTIR) absorption spectrum of the ν2 fundamental band of the formaldehyde isotopomer H213CO was recorded at an unapodized resolution of 0.0063 cm−1 in the 1630–1780 cm−1 region. Upper state (ν2 = 1) rovibrational constants inclusive of three rotational, five quartic, and six sextic centrifugal distortion constants were accurately determined by assigning and fitting 447 unperturbed infrared transitions with a rms deviation of 0.00056 cm−1 using Watson’s A-reduced Hamiltonian in the Ir representation. Analysis of new transitions measured in this work yielded more higher-order upper state constants with greater accuracy than previously reported. The band center of the A-type ν2 band was found to be 1707.980943 ± 0.000058 cm−1 while the calculated inertial defect Δ2 of the H213CO molecule was 0.09581 ± 0.00004 μÅ2.  相似文献   

CD379BrCD381Br
ν2991.396 82 (18)991.388 46 (17)cm?1
ν51055.469 00 (12)1055.466 32 (12)cm?1
μ01.830 42 (52)1.829 84 (47)D
μ21.829 93 (48)1.829 57 (46)D
μ51.832 23 (60)1.831 19 (56)D
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