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1.
Lary W. Pinkley K. Narahari Rao M. Dang-Nhu G. Tarrago G. Poussigue 《Journal of Molecular Spectroscopy》1976,63(3):402-444
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): , , , . 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.
J. Norooz Oliaee M. Dehghany A.R.W. McKellar 《Journal of Molecular Spectroscopy》2009,257(2):133-10422
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.
O.N. Ulenikov O.L. Khabibulina E.S. Bekhtereva H. Bürger 《Journal of Molecular Spectroscopy》2003,217(2):288-297
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.
Influence of relaxation effects on probabilities of the 2s2p35S2-2s22p2 3P1,2 intercombination transitions in NII
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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
35ClO2 | 37ClO2 | |||||
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 |
2Π1/2 | 2Π3/2 | 2Δ3/2 | 2Δ5/2 | |||
---|---|---|---|---|---|---|
B | 0.3861 | 0.3886 | 0.3772 | 0.3792 | ||
D × 106 | 0.46 | 0.35 | 0.40 | 0.37 | ||
p | 0.154 | |||||
pj | ?3.8 × 10-6 |
CD379Br | CD381Br | |||||
991.396 82 (18) | 991.388 46 (17) | cm?1 | ||||
1055.469 00 (12) | 1055.466 32 (12) | cm?1 | ||||
1.830 42 (52) | 1.829 84 (47) | D | ||||
1.829 93 (48) | 1.829 57 (46) | D | ||||
1.832 23 (60) | 1.831 19 (56) | D |
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