L-RESONANCE EFFECTS IN THE NU(5),2-NU(5)[-NU(5), AND NU(4)+NU(5)[-NU(4) BANDS OF C2H2 AND (CCH2)-C-13-C-12 NEAR 13.7-MU-M

被引:11
作者
WEBER, M [1 ]
BLASS, WE [1 ]
HALSEY, GW [1 ]
HILLMAN, JJ [1 ]
MAGUIRE, WC [1 ]
机构
[1] NASA,GODDARD SPACE FLIGHT CTR,EXTRATERR PHYS LAB,GREENBELT,MD 20771
来源
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 1992年 / 48卷 / 09期
关键词
D O I
10.1016/0584-8539(92)80257-W
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
An extension to the previous LSCD (lower state combination difference) determination of molecular parameters involving acetylene's nu5 fundamental and the strongest one quantum hotbands, 2nu5 <-- nu5 and nu4 + nu5 <-- nu4 [J. Molec. Spectrosc. 146, 389 (1991)] has been made. A novel iterative numerical diagonalization procedure was employed to fit the vibrational states involved in the seven one quantum hotbands. This method utilizes the Hellmann-Feynman theorem to calculate first derivatives and singular value decomposition (SVD) in its least-square procedure and permits the simultaneous evaluation of the effective dipole moment responsibie for the l-type resonance effect upon IR intensities. A set of molecular parameters describing the rotation-vibration levels of the ground state, nu5, nu4, 2nu5 and nu4 + nu5 for the major isotope and for (CCH2)-C-13-C-12 are reported based upon FT-spectrometric data taken at the McMath Solar Telescope Observatory. The improved spectroscopic parameters retrieved from this investigation will serve as a database for modelling abundances of acetylene in various astrophysical sources.
引用
收藏
页码:1203 / 1226
页数:24
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