Stretch-Bender Calculations of the Rovibronic Energies in the Excited, ÃA1, Electronic State of NH2 and of the Near-Resonant High-Lying Levels of the X?B1 State

The extended stretch-bender Hamiltonian, incorporating spin-orbit coupling and overall rotation, has been used to calculate the spin-vibronic structure of the rovibronic energies in the region where the vibronic states of the excited òA₁ electronic state of NH₂ interact with near-resonant high-lying levels of the X?²B₁ state of NH₂. A detailed comparison has been made with the experimental measurements which were made of these rovibronic states, the majority of which are due to Ramsay, Vervloet, and their collaborators. We have shown that, as in our study of the vibronic levels of the X?²B₁ state below the barrier to linearity, in order to fit the variation of the effective vibronic spin-orbit coupling constant over the whole of this energy regime, the effective linear molecule spin-orbit coupling constant, A_SO must be increased from the earlier value of 50 cm⁻¹ of Ch. Jungen, K.-E. J. Hallin, and A. Merer (Mol. Phys.40, 65-94 (1980)) to 61.6 cm⁻¹. The impact of Fermi resonance, in both the òA₁ and X?²B₁ states, on the observed rovibronic structure has been assessed. The pattern of calculated spin-rovibronic levels, including the effects of spin uncoupling, is in good agreement with that measured experimentally.     

Kinetics of the apparent isothermal and non-isothermal crystallization of the α-Fe phase within the amorphous Fe81B13Si4C2 alloy

Kinetics of the apparent isothermal and the non-isothermal crystallization of α-Fe phase within the amorphous Fe₈₁B₁₃Si₄C₂ alloy were investigated by an X-ray diffraction (XRD) and by a differential scanning calorimetry (DSC). It was established that the apparent isothermal crystallization of α-Fe phase within amorphous Fe₈₁B₁₃Si₄C₂ alloy could be described by the Johnson-Mehl-Avrami (JMA) kinetic model (with parameter n_iso=4.0). The apparent isothermal crystallization process includes a constant rate of nucleation and three-dimensional growth of nuclei. The results of X-ray diffraction (XRD) data of the isothermally crystallized samples confirmed the above established kinetic model. From the kinetic analysis of the non-isothermal crystallization of the α-Fe phase within this amorphous alloy, it was concluded that the autocatalytic two-parameter Šesták-Berggren (SB) reaction model (with kinetic exponents M=0.72 and N=1.02) describes well the studied process under the given conditions. The non-isothermal crystallization process involves the constant nucleation rate of stable nuclei with additional secondary two-dimensional (surface) nucleation and overlapping of the growing nuclei on account of the non-isothermal activation.     

Microwave spectroscopy of the ν8-ν6 band of diacetylene

Vibration-rotation transitions of diacetylene between the first excited states of the ν₆ (CCH symmetric bending) and the ν₈ (CCH antisymmetric bending) vibrations were observed with a Stark modulation microwave spectrometer. The rotational, centrifugal distortion and l-type doubling constants of the two vibrational states were determined as follows with 2.5 σ uncertainties in parentheses.

     

4.

Study on the formation of the composite system of ²³⁸U+²³⁸U     

吴锡真  田俊龙  赵凯  张英逊  李祝霞 《中国物理 C》2009,33(Z1):30-32

Strongly damped reactions of ²³⁸U+²³⁸U, at E_cm= 680—1880 MeV have been studied based on the improved quantum molecular dynamics model. We find that at a certain energy region the entrance channel potential is weakly repulsive and the dissipation is very strong after touching configuration, these two effects make the time delay of re-separation for colliding system. The single particle potential well of the transiently formed composite system has Coulomb barrier about 15—20 MeV high at the surface, which makes the excited unbound protons being still embedded in the potential well and moving in a common mono-single particle potential for a period of time and thus restrains from quick decay of the composite system.     

5.

Investigation of Hypernucleus _Λ⁵He Structure and the Calculation of the Binding Energy          下载免费PDF全文

Liu Xianhui  Chen Zitao 《中国物理C(英文版)》1999,23(4):380-387

In this paper the nuclear structure of hypernucleus ₅^ΛHe and its effect on the binding energy B_Λ of A hyperon are systematically studied. The Polarization effect of the core a is explored. The binding energy B_Λ of ₅^ΛHe including D-state mixing component is calculated. The results show that the core α suffers a serious distortion by the interaction with Λ hyperon and has no longer the structure of a free Alpha Particle. The D-state mixing can improve the B_Λ calculated value about 0.5MeV. A Possible three cluster structure is further explored. The Λ+d+d model can give a B_Λ value close to the experimental one. The further exploration is necessary.     

6.

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

	$\text{B}{}_{\mathrm{v}}\text{(}\text{MHz}\text{)}$	$\text{D}{}_{\mathrm{v}}\text{(}\text{kHz}\text{)}$	$\text{q}{}_{\mathrm{v}}\text{(}\text{MHz}\text{)}$
$\text{ν}{}_6$	4391.3230(84)	0.582(154)	2.4830(32)
$\text{ν}{}_8$	4391.1921(94)	0.594(179)	2.4073(37)

     

7.

Vibration-Torsion-Rotation Study of the ν₅ State of CH₃CF₃     

S.-X. Wang  J. Schroderus  I. Ozier  N. Moazzen-AhmadiV.-M. Horneman  V.V. IlyushynE.A. Alekseev  A.A. KatrichS.F. Dyubko 《Journal of Molecular Spectroscopy》2002,214(1):69-79

An investigation of the torsion-rotation-vibration energies in the ν₅ vibrational state in CH₃CF₃ has been carried out using infrared and mm-wave spectroscopy. The lowest frequency parallel fundamental band ν₅ near 600 cm⁻¹ has been measured at a resolution of 0.00125 cm⁻¹ with Fourier transform spectroscopy for the two lowest torsional states v₆=0 and 1. The cold band (v₅=1, v₆=0)←(v₅=0, v₆=0) showed no torsional splittings and looked much like a parallel band in a C_3v molecule. The hot band (v₅=1, v₆=1)←(v₅=0, v₆=1) consisted of three distinct subbands, one for each torsional sublevel σ=0, +1, and −1. For the state (v₅=1, v₆=1), the torsional splitting was increased from ∼0.001 cm⁻¹ to ∼0.022 cm⁻¹ by torsion-mediated Fermi-type interaction primarily with the dark state (v₅=0, v₆=5). The effects of this coupling on the spectrum are striking in spite of the fact that the two interacting states are ∼100 cm⁻¹ apart and differ by four units in v₆. The large amplitude character of the state (v₅=0, v₆=5) is seen to be largely responsible for the unusual (k, σ) dependence of the energies in the state (v₅=1, v₆=1). The pure rotational spectrum in the state (v₅=1, v₆=0) has been measured between ∼50 and 370 GHz with Doppler-limited resolution; no σ-splitting was detected. The 3590 infrared and mm-wave frequencies measured here have been analyzed together with the 1494 measurements reported earlier by Wang et al. in an analysis of the vibrational ground state (2001, J. Mol. Spectrosc.205, 146-163). A good fit was obtained here by varying 36 parameters in a Hamiltonian which takes into account the interaction between the torsional stacks of levels for v₅=0 and 1, as well as the (A₁−A₂) splittings measured earlier for v₅=0. The explicit treatment of the interstack interactions is shown to lead to significant changes in the parameters (V_0,3, V_0,6) that characterize the torsional potential for v₅=0. These changes have been explained quantitatively by examining the contact transformation that is implicitly applied when the interstack coupling is neglected.     

8.

Analysis of the hot bands in the 2ν₉ band region of propyne-d₃     

Geetha Rajappan 《Journal of Molecular Spectroscopy》2004,224(2):107-113

The rovibrational spectrum of 2ν₉ band of CD₃CCH is overlapped by two prominent hot bands identified as (2ν₉⁰+ν₁₀^±1)(E)←ν₁₀^±1(E) and 3ν₉^±1(E)←ν₉^±1(E), where ν₁₀ and ν₉ are the degenerate CCC and CCH bending fundamental vibrations, respectively. Assignment of lines to the transitions of these hot bands were carried out with the help of the high-resolution spectra recorded at ∼195 K and at room temperature. Molecular parameters for these hot bands have been obtained from the rotational analysis of the partially resolved K-structure lines. Only Q-head of the third hot band , originating from the lower 2ν₁₀ state could be identified.     

9.

Stretch-Bender Calculations of the Rovibronic Energies in the X?B₁ Electronic Ground State of NH₂     

Alexander Alijah  Geoffrey Duxbury 《Journal of Molecular Spectroscopy》2002,211(1):16-30

The extended stretch-bender Hamiltonian, incorporating spin-orbit coupling and overall rotation, has been used to calculate the spin-vibronic structure of the X?²B₁ state of NH₂ up to the barrier to linearity of this state. A detailed comparison has been made with experimental measurements of these rovibronic states, the majority of which are due to Vervloet and his collaborators. We have shown that, in order to fit the variation of the vibronic spin-orbit coupling constant over the whole of this energy regime, the effective linear molecule spin-orbit coupling constant, A_SO, must be increased from the earlier value of 50 cm⁻¹ of Ch. Jungen, K.-E. J. Hallin, and A. Merer (Mol. Phys.40, 65-94 (1980)) to 61.6 cm⁻¹. Evidence has also been provided for the large quenching of the spin-orbit coupling as the molecule bends, reflected in the large valuee of g_K=6 cm⁻¹. The pattern of calculated spinrovibronic levels, including the effects of spin uncoupling, is in good agreement with that measured experimentally.     

10.

Infrared diode laser spectroscopy of the ν₃ fundamental band of the PO₂ free radical     

Michael A. Lawson  Kristian J. Hoffman  Paul B. Davies 《Journal of Molecular Spectroscopy》2011,269(1):61-76

The asymmetric stretching fundamental of the PO₂ free radical in its ground electronic state has been measured between 1280 and 1360 cm⁻¹ using diode laser absorption spectroscopy. This new data set has been combined in a fit with an earlier, smaller infrared data set and with pure rotational transitions measured by microwave and laser magnetic resonance spectroscopies to provide a new set of parameters for the ground and ν₃ = 1 states of A₁ PO₂. These parameters can be used to calculate line positions in this band for transitions up to N = 50.     

11.

Configuration of the valence neutrons of ¹⁷B     

王猛  胡正国  徐瑚珊  孙志宇  王建松  肖国青  詹文龙  张雪荧  李琛  毛瑞士  张宏斌  赵铁成  徐治国  王玥  陈若富  黄天衡  高辉  贾飞  付芬  高启  韩建龙  章学恒  郑川  余玉洪  樊瑞睿  李波  郭忠言 《中国物理 C》2008,32(7):548-551

The reaction cross section of ¹⁷B on ¹²C target at (43.7±2.4)MeV/u has been measured at the Radioactive Ion Beam Line in Lanzhou (RIBLL). The root-mean-square matter radius (R_rms) was deduced to be (2.92±0.10)fm, while the R_rms of the core and the valence neutron distribution are 2.28fm and 5.98fm respectively. Assuming a ``core plus 2n' structure in ¹⁷B, the mixed configuration of (2s_1/2) and (1d_5/2) of the valence neutrons is studied and the     

12.

Theoretical investigation of the structure of ¹⁹N     

张玉美  许甫荣 《中国物理 C》2008,32(Z2):150-151

We have employed the shell model and Skyrme-Hartree-Fock methods to investigate the structure of the neutron-rich nucleus ¹⁹N. The level scheme of ¹⁹N from the shell-model calculation with the WBT interaction is displayed. The potential-energy-surface calculation with the SGII interaction implies that ¹⁹N should be a deformed nucleus. The theoretical β-decay half life of ¹⁹N reproduces well the available experimental data.     

13.

The high-resolution FTIR spectrum of the ν₆ band of C₂H₃D     

T.L. Tan  G.B. Lebron 《Journal of Molecular Spectroscopy》2010,263(2):160-165

The absorption spectrum of the ν₆ band of C₂H₃D centered near 1125.27674 cm⁻¹ in the 1100-1250 cm⁻¹ region was recorded with an unapodized resolution of 0.0063 cm⁻¹ using a Fourier transform infrared (FTIR) spectrometer. A total of 947 infrared transitions of the A-B hybrid-type band were assigned and fitted to upper-state (ν₆ = 1) rovibrational constants using a Watson’s A-reduced Hamiltonian in the I^r representation up to eighth-order centrifugal distortion terms. The b-type infrared transitions of the band were analyzed for the first time. The root-mean-square deviation of the fit was 0.00062 cm⁻¹. The ground-state rovibrational constants up to eighth-order terms were also obtained by a fit of 617 combination differences from the present infrared measurements, simultaneously with 21 microwave frequencies with a root-mean-square deviation of 0.00055 cm⁻¹. From this work, the upper-state (ν₆ = 1) and ground-state constants of C₂H₃D were derived with the highest accuracy, so far. The a- and b-type transitions of the hybrid ν₆ band were found to be relatively free from local frequency perturbations. The ratio of the a- to b-type vibrational dipole transition moments (μ_a/μ_b) was found to be 1.05 ± 0.10. From the ν₆ = 1 rovibrational constants obtained, the inertial defect Δ₆ was calculated to be 0.3570 ± 0.0008 μŲ.     

14.

Renormalization of the band parameters owing to the phonon interaction in Bi₂Sr₂CaCu₂O_{8 ? x} and determination of the superconducting gap parameters from the temperature dependence of the superconducting current density in YBa₂Cu₃O₇     

M. V. Eremin  M. A. Malakhov  D. A. Sunyaev 《JETP Letters》2012,96(2):105-108

     

15.

High resolution study of the 3ν₁ band of SO₂     

O.N. Ulenikov  E.S. Bekhtereva  S. Alanko 《Journal of Molecular Spectroscopy》2009,255(2):111-121

The second overtone band 3ν₁ of sulfur dioxide has been studied for the first time with high resolution rotation-vibration spectroscopy. About 3000 transitions involving about 900 upper state energy levels with have been assigned to the 3ν₁ band. In the analysis, an effective Hamiltonian taking into account accidental interactions between the vibrational states (3 0 0), (2 2 0), and (0 4 1) was used. The Watson operator in A-reduction and I^r representation was used in the diagonal blocks of the Hamiltonian. As the result of analysis a set of parameters reproducing the initial experimental data with the rms = 0.00028 cm⁻¹ was obtained.     

16.

Application of the vector ε and ρ extrapolation methods in the acceleration of the Richardson-Lucy algorithm     

Qiong Gao  Zongfu Jiang  Kaiyang Song 《Optics Communications》2010,283(21):4224-4229

The vector ε and ρ extrapolation methods are applied in accelerating the convergence of the Richardson-Lucy (R-L) algorithm and its damped version. The theory and implementation are discussed in detail, and relevant numerical results are given, including the cases of noise-free images and images corrupted by the Poisson noise. The results show that the vector ε and ρ extrapolations of 9 orders can speed the convergence quite efficiently, and the ρ(9) method is more powerful than the ε(9) method for noisy degraded images. The extra computation burden due to the extrapolation is limited, and is well paid back by the accelerated convergence. The performances of these two methods are compared with the famous automatic acceleration method. For noise-free degraded images, the vector ε(9) and ρ(9) methods are more stable than the automatic method. For noisy degraded images, the damped R-L algorithm accelerated by vector ρ(9) or automatic methods is more powerful, and the instability of the automatic method is restrained by the damping strategy. We explain the instability of the method in accelerating the normal R-L algorithm by the numerical noise due to its frequent applications in the run.     

17.

Stimulated Emission Pumping Spectroscopy of SiH₂: First Observation of the Spin-Orbit Interaction between the X?A₁ and the ãB₁ States     

Haruki IshikawaYasuhiko Muramoto  Naohiko Mikami 《Journal of Molecular Spectroscopy》2002,216(1):90-97

Stimulated emission pumping spectra of the ùB₁-X?¹A₁ transition of the SiH₂ radical were observed in order to obtain information about the ã³B₁ state through the spin-orbit interaction. The vibrational level structure of the X? state, which is the basis for the present observation of the triplet state, was well described with a polyad structure, in which both the 1ν₁ : 2ν₂ Fermi and the 2ν₁ : 2ν₃ Darling-Dennison anharmonic resonances were considered. In the P=10 polyad, four sets of spin-orbit perturbations were observed for the first time. The triplet state observed at about 9640 cm⁻¹ from the (000) level of the X? state was tentatively assigned as the ã³B₁ (030) level. An analysis of the spin-orbit interaction showed that the interaction energies of the spin-orbit coupling are 0.73-3.13 cm⁻¹. This value is rather smaller than that expected based on the comparison with CH₂. This is considered to be due to poor overlap between the vibrational wave functions in the ã and the X? state.     

18.

High-resolution FTIR measurement and analysis of the ν₃ band of C₂H₃D     

G.B. Lebron 《Journal of Molecular Spectroscopy》2010,261(2):119-123

The Fourier transform infrared (FTIR) spectrum of the ν₃ band of C₂H₃D was measured at an unapodized resolution of 0.0063 cm⁻¹ in the 1240-1340 cm⁻¹ region. Rovibrational constants for the upper state (ν₃ = 1) up to five quartic and two sextic centrifugal distortion terms had been obtained by assigning and fitting a total of 1037 infrared transitions using a Watson’s A-reduced Hamiltonian in the I^r representation. The root-mean-square deviation of the fit was 0.00051 cm⁻¹. The ground state rovibrational constants were also determined by a fit of 674 combination differences together with 21 microwave frequencies from the present infrared measurements with a root-mean-square deviation of 0.00040 cm⁻¹. The upper state (ν₃ = 1) and ground state rovibrational constants of C₂H₃D represent the most accurate values obtained so far. The A-type ν₃ band, centred at 1288.788826 ± 0.000044 cm⁻¹ was found to be relatively free from local frequency perturbations. From the ν₃ = 1 rovibrational constants obtained, the inertial defect Δ₃ was 0.1619724 ± 0.0000001 μŲ.     

19.

High resolution analysis of the ν₇ and ν₉ bands of DCOOH     

O.I. Baskakov  V.-M. Horneman 《Journal of Molecular Spectroscopy》2003,219(2):191-199

The 7¹ and 9¹ vibrational states of deuterated species of formic acid molecule DCOOH have been recorded by a FTIR spectrometer in the region 450- at a resolution of and a millimeter wave spectrometer. In the analysis microwave transitions from literature were used in addition to 14 835 assigned IR and 114 millimeter wave lines in the 7¹ and 9¹ vibrational states. The analysis resulted in band origins, rotational, centrifugal distortion, and eight interaction parameters of the Coriolis coupled 7¹ and 9¹ vibrational states. RMS deviation of the fit was for the IR data and the maximum values of J and K_a quantum numbers in the fit were 64, 28 and 64, 30 for 7¹ and 9¹ states, respectively.     

20.

Analysis of ν₂, ν₄ Infrared Hot Bands of SO₃: Resolution of the Puzzle of the ν₁ CARS Spectrum     

Jeffrey BarberEngelene t.H. Chrysostom  Tony MasielloJoseph W. Nibler  Arthur MakiAlfons Weber  Thomas A. BlakeRobert L. Sams 《Journal of Molecular Spectroscopy》2002,216(1):105-112

Further analysis of the high-resolution (0.0015 cm⁻¹) infrared spectrum of ³²S¹⁶O₃ has led to the assignment of more than 3100 hot band transitions from the ν₂ and ν₄ levels to the states 2ν₂ (l=0), ν₂+ν₄ (l=±1), and 2ν₄ (l=0,±2). These levels are strongly coupled via Fermi resonance and indirect Coriolis interactions to the ν₁ levels, which are IR-inaccessible from the ground state. The unraveling of these interactions has allowed the solution of the unusual and complicated structure of the ν₁ CARS spectrum. This has been accomplished by locating over 400 hot-band transitions to levels that contain at least 10% ν₁ character. The complex CARS spectrum results from a large number of avoided energy-level crossings between these states. Accurate rovibrational constants are deduced for all the mixed states for the first time, leading to deperturbed values of 1064.924(11), 0.000 840 93(64), and 0.000 418 19(58) cm⁻¹ for ν₁, α₁^B, and α₁^C, respectively. The uncertainties in the last digits are shown in parentheses and represent two standard deviations. In addition, new values for some of the anharmonicity constants have been obtained. Highly accurate values for the equilibrium rotational constants B_e and C_e are deduced, yielding independent, nearly identical values for the SO r_e bond length of 141.734 03(13) and 141.732 54(18) pm, respectively.     

		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

Study on the formation of the composite system of 238U+238U

Strongly damped reactions of ²³⁸U+²³⁸U, at E_cm= 680—1880 MeV have been studied based on the improved quantum molecular dynamics model. We find that at a certain energy region the entrance channel potential is weakly repulsive and the dissipation is very strong after touching configuration, these two effects make the time delay of re-separation for colliding system. The single particle potential well of the transiently formed composite system has Coulomb barrier about 15—20 MeV high at the surface, which makes the excited unbound protons being still embedded in the potential well and moving in a common mono-single particle potential for a period of time and thus restrains from quick decay of the composite system.     

Investigation of Hypernucleus Λ5He Structure and the Calculation of the Binding Energy

In this paper the nuclear structure of hypernucleus ₅^ΛHe and its effect on the binding energy B_Λ of A hyperon are systematically studied. The Polarization effect of the core a is explored. The binding energy B_Λ of ₅^ΛHe including D-state mixing component is calculated. The results show that the core α suffers a serious distortion by the interaction with Λ hyperon and has no longer the structure of a free Alpha Particle. The D-state mixing can improve the B_Λ calculated value about 0.5MeV. A Possible three cluster structure is further explored. The Λ+d+d model can give a B_Λ value close to the experimental one. The further exploration is necessary.     

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

Vibration-Torsion-Rotation Study of the ν5 State of CH3CF3

An investigation of the torsion-rotation-vibration energies in the ν₅ vibrational state in CH₃CF₃ has been carried out using infrared and mm-wave spectroscopy. The lowest frequency parallel fundamental band ν₅ near 600 cm⁻¹ has been measured at a resolution of 0.00125 cm⁻¹ with Fourier transform spectroscopy for the two lowest torsional states v₆=0 and 1. The cold band (v₅=1, v₆=0)←(v₅=0, v₆=0) showed no torsional splittings and looked much like a parallel band in a C_3v molecule. The hot band (v₅=1, v₆=1)←(v₅=0, v₆=1) consisted of three distinct subbands, one for each torsional sublevel σ=0, +1, and −1. For the state (v₅=1, v₆=1), the torsional splitting was increased from ∼0.001 cm⁻¹ to ∼0.022 cm⁻¹ by torsion-mediated Fermi-type interaction primarily with the dark state (v₅=0, v₆=5). The effects of this coupling on the spectrum are striking in spite of the fact that the two interacting states are ∼100 cm⁻¹ apart and differ by four units in v₆. The large amplitude character of the state (v₅=0, v₆=5) is seen to be largely responsible for the unusual (k, σ) dependence of the energies in the state (v₅=1, v₆=1). The pure rotational spectrum in the state (v₅=1, v₆=0) has been measured between ∼50 and 370 GHz with Doppler-limited resolution; no σ-splitting was detected. The 3590 infrared and mm-wave frequencies measured here have been analyzed together with the 1494 measurements reported earlier by Wang et al. in an analysis of the vibrational ground state (2001, J. Mol. Spectrosc.205, 146-163). A good fit was obtained here by varying 36 parameters in a Hamiltonian which takes into account the interaction between the torsional stacks of levels for v₅=0 and 1, as well as the (A₁−A₂) splittings measured earlier for v₅=0. The explicit treatment of the interstack interactions is shown to lead to significant changes in the parameters (V_0,3, V_0,6) that characterize the torsional potential for v₅=0. These changes have been explained quantitatively by examining the contact transformation that is implicitly applied when the interstack coupling is neglected.     

Analysis of the hot bands in the 2ν9 band region of propyne-d3

The rovibrational spectrum of 2ν₉ band of CD₃CCH is overlapped by two prominent hot bands identified as (2ν₉⁰+ν₁₀^±1)(E)←ν₁₀^±1(E) and 3ν₉^±1(E)←ν₉^±1(E), where ν₁₀ and ν₉ are the degenerate CCC and CCH bending fundamental vibrations, respectively. Assignment of lines to the transitions of these hot bands were carried out with the help of the high-resolution spectra recorded at ∼195 K and at room temperature. Molecular parameters for these hot bands have been obtained from the rotational analysis of the partially resolved K-structure lines. Only Q-head of the third hot band , originating from the lower 2ν₁₀ state could be identified.     

Stretch-Bender Calculations of the Rovibronic Energies in the X?B1 Electronic Ground State of NH2

The extended stretch-bender Hamiltonian, incorporating spin-orbit coupling and overall rotation, has been used to calculate the spin-vibronic structure of the X?²B₁ state of NH₂ up to the barrier to linearity of this state. A detailed comparison has been made with experimental measurements of these rovibronic states, the majority of which are due to Vervloet and his collaborators. We have shown that, in order to fit the variation of the vibronic spin-orbit coupling constant over the whole of this energy regime, the effective linear molecule spin-orbit coupling constant, A_SO, must be increased from the earlier value of 50 cm⁻¹ of Ch. Jungen, K.-E. J. Hallin, and A. Merer (Mol. Phys.40, 65-94 (1980)) to 61.6 cm⁻¹. Evidence has also been provided for the large quenching of the spin-orbit coupling as the molecule bends, reflected in the large valuee of g_K=6 cm⁻¹. The pattern of calculated spinrovibronic levels, including the effects of spin uncoupling, is in good agreement with that measured experimentally.     

Infrared diode laser spectroscopy of the ν3 fundamental band of the PO2 free radical

The asymmetric stretching fundamental of the PO₂ free radical in its ground electronic state has been measured between 1280 and 1360 cm⁻¹ using diode laser absorption spectroscopy. This new data set has been combined in a fit with an earlier, smaller infrared data set and with pure rotational transitions measured by microwave and laser magnetic resonance spectroscopies to provide a new set of parameters for the ground and ν₃ = 1 states of A₁ PO₂. These parameters can be used to calculate line positions in this band for transitions up to N = 50.     

Configuration of the valence neutrons of 17B

The reaction cross section of ¹⁷B on ¹²C target at (43.7±2.4)MeV/u has been measured at the Radioactive Ion Beam Line in Lanzhou (RIBLL). The root-mean-square matter radius (R_rms) was deduced to be (2.92±0.10)fm, while the R_rms of the core and the valence neutron distribution are 2.28fm and 5.98fm respectively. Assuming a ``core plus 2n' structure in ¹⁷B, the mixed configuration of (2s_1/2) and (1d_5/2) of the valence neutrons is studied and the     

Theoretical investigation of the structure of 19N

We have employed the shell model and Skyrme-Hartree-Fock methods to investigate the structure of the neutron-rich nucleus ¹⁹N. The level scheme of ¹⁹N from the shell-model calculation with the WBT interaction is displayed. The potential-energy-surface calculation with the SGII interaction implies that ¹⁹N should be a deformed nucleus. The theoretical β-decay half life of ¹⁹N reproduces well the available experimental data.     

The high-resolution FTIR spectrum of the ν6 band of C2H3D

The absorption spectrum of the ν₆ band of C₂H₃D centered near 1125.27674 cm⁻¹ in the 1100-1250 cm⁻¹ region was recorded with an unapodized resolution of 0.0063 cm⁻¹ using a Fourier transform infrared (FTIR) spectrometer. A total of 947 infrared transitions of the A-B hybrid-type band were assigned and fitted to upper-state (ν₆ = 1) rovibrational constants using a Watson’s A-reduced Hamiltonian in the I^r representation up to eighth-order centrifugal distortion terms. The b-type infrared transitions of the band were analyzed for the first time. The root-mean-square deviation of the fit was 0.00062 cm⁻¹. The ground-state rovibrational constants up to eighth-order terms were also obtained by a fit of 617 combination differences from the present infrared measurements, simultaneously with 21 microwave frequencies with a root-mean-square deviation of 0.00055 cm⁻¹. From this work, the upper-state (ν₆ = 1) and ground-state constants of C₂H₃D were derived with the highest accuracy, so far. The a- and b-type transitions of the hybrid ν₆ band were found to be relatively free from local frequency perturbations. The ratio of the a- to b-type vibrational dipole transition moments (μ_a/μ_b) was found to be 1.05 ± 0.10. From the ν₆ = 1 rovibrational constants obtained, the inertial defect Δ₆ was calculated to be 0.3570 ± 0.0008 μŲ.     

High resolution study of the 3ν1 band of SO2

The second overtone band 3ν₁ of sulfur dioxide has been studied for the first time with high resolution rotation-vibration spectroscopy. About 3000 transitions involving about 900 upper state energy levels with have been assigned to the 3ν₁ band. In the analysis, an effective Hamiltonian taking into account accidental interactions between the vibrational states (3 0 0), (2 2 0), and (0 4 1) was used. The Watson operator in A-reduction and I^r representation was used in the diagonal blocks of the Hamiltonian. As the result of analysis a set of parameters reproducing the initial experimental data with the rms = 0.00028 cm⁻¹ was obtained.     

Application of the vector ε and ρ extrapolation methods in the acceleration of the Richardson-Lucy algorithm

The vector ε and ρ extrapolation methods are applied in accelerating the convergence of the Richardson-Lucy (R-L) algorithm and its damped version. The theory and implementation are discussed in detail, and relevant numerical results are given, including the cases of noise-free images and images corrupted by the Poisson noise. The results show that the vector ε and ρ extrapolations of 9 orders can speed the convergence quite efficiently, and the ρ(9) method is more powerful than the ε(9) method for noisy degraded images. The extra computation burden due to the extrapolation is limited, and is well paid back by the accelerated convergence. The performances of these two methods are compared with the famous automatic acceleration method. For noise-free degraded images, the vector ε(9) and ρ(9) methods are more stable than the automatic method. For noisy degraded images, the damped R-L algorithm accelerated by vector ρ(9) or automatic methods is more powerful, and the instability of the automatic method is restrained by the damping strategy. We explain the instability of the method in accelerating the normal R-L algorithm by the numerical noise due to its frequent applications in the run.     

Stimulated Emission Pumping Spectroscopy of SiH2: First Observation of the Spin-Orbit Interaction between the X?A1 and the ãB1 States

Stimulated emission pumping spectra of the ùB₁-X?¹A₁ transition of the SiH₂ radical were observed in order to obtain information about the ã³B₁ state through the spin-orbit interaction. The vibrational level structure of the X? state, which is the basis for the present observation of the triplet state, was well described with a polyad structure, in which both the 1ν₁ : 2ν₂ Fermi and the 2ν₁ : 2ν₃ Darling-Dennison anharmonic resonances were considered. In the P=10 polyad, four sets of spin-orbit perturbations were observed for the first time. The triplet state observed at about 9640 cm⁻¹ from the (000) level of the X? state was tentatively assigned as the ã³B₁ (030) level. An analysis of the spin-orbit interaction showed that the interaction energies of the spin-orbit coupling are 0.73-3.13 cm⁻¹. This value is rather smaller than that expected based on the comparison with CH₂. This is considered to be due to poor overlap between the vibrational wave functions in the ã and the X? state.     

High-resolution FTIR measurement and analysis of the ν3 band of C2H3D

The Fourier transform infrared (FTIR) spectrum of the ν₃ band of C₂H₃D was measured at an unapodized resolution of 0.0063 cm⁻¹ in the 1240-1340 cm⁻¹ region. Rovibrational constants for the upper state (ν₃ = 1) up to five quartic and two sextic centrifugal distortion terms had been obtained by assigning and fitting a total of 1037 infrared transitions using a Watson’s A-reduced Hamiltonian in the I^r representation. The root-mean-square deviation of the fit was 0.00051 cm⁻¹. The ground state rovibrational constants were also determined by a fit of 674 combination differences together with 21 microwave frequencies from the present infrared measurements with a root-mean-square deviation of 0.00040 cm⁻¹. The upper state (ν₃ = 1) and ground state rovibrational constants of C₂H₃D represent the most accurate values obtained so far. The A-type ν₃ band, centred at 1288.788826 ± 0.000044 cm⁻¹ was found to be relatively free from local frequency perturbations. From the ν₃ = 1 rovibrational constants obtained, the inertial defect Δ₃ was 0.1619724 ± 0.0000001 μŲ.     

High resolution analysis of the ν7 and ν9 bands of DCOOH

The 7¹ and 9¹ vibrational states of deuterated species of formic acid molecule DCOOH have been recorded by a FTIR spectrometer in the region 450- at a resolution of and a millimeter wave spectrometer. In the analysis microwave transitions from literature were used in addition to 14 835 assigned IR and 114 millimeter wave lines in the 7¹ and 9¹ vibrational states. The analysis resulted in band origins, rotational, centrifugal distortion, and eight interaction parameters of the Coriolis coupled 7¹ and 9¹ vibrational states. RMS deviation of the fit was for the IR data and the maximum values of J and K_a quantum numbers in the fit were 64, 28 and 64, 30 for 7¹ and 9¹ states, respectively.     

Analysis of ν2, ν4 Infrared Hot Bands of SO3: Resolution of the Puzzle of the ν1 CARS Spectrum

Further analysis of the high-resolution (0.0015 cm⁻¹) infrared spectrum of ³²S¹⁶O₃ has led to the assignment of more than 3100 hot band transitions from the ν₂ and ν₄ levels to the states 2ν₂ (l=0), ν₂+ν₄ (l=±1), and 2ν₄ (l=0,±2). These levels are strongly coupled via Fermi resonance and indirect Coriolis interactions to the ν₁ levels, which are IR-inaccessible from the ground state. The unraveling of these interactions has allowed the solution of the unusual and complicated structure of the ν₁ CARS spectrum. This has been accomplished by locating over 400 hot-band transitions to levels that contain at least 10% ν₁ character. The complex CARS spectrum results from a large number of avoided energy-level crossings between these states. Accurate rovibrational constants are deduced for all the mixed states for the first time, leading to deperturbed values of 1064.924(11), 0.000 840 93(64), and 0.000 418 19(58) cm⁻¹ for ν₁, α₁^B, and α₁^C, respectively. The uncertainties in the last digits are shown in parentheses and represent two standard deviations. In addition, new values for some of the anharmonicity constants have been obtained. Highly accurate values for the equilibrium rotational constants B_e and C_e are deduced, yielding independent, nearly identical values for the SO r_e bond length of 141.734 03(13) and 141.732 54(18) pm, respectively.