H-2 SE-80 - HIGH-RESOLUTION STUDY OF THE 2-NU(1)+NU(2), NU(1)+NU(2)+NU(3), 3-NU(1), 2-NU(1)+NU(3) AND NU(1)+2-NU(3) BANDS

被引:18
作者
FLAUD, JM
CAMYPEYRET, C
ARCAS, P
BURGER, H
WILLNER, H
机构
[1] UNIV GESAMTHSCH WUPPERTAL,FACHBEREICH 9,D-42097 WUPPERTAL,GERMANY
[2] UNIV HANNOVER,INST ANORGAN CHEM,D-30167 HANNOVER,GERMANY
关键词
D O I
10.1006/jmsp.1994.1301
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Using high-resolution Fourier transform spectra of monoisotopic (H2Se)-Se-80 recorded in the 1.8- and 1.55-mu m regions, an extensive analysis of the 2 nu(1) + nu(2), nu(1) + nu(2) + nu(3), 3 nu(1), 2 nu(1) + nu(3), and nu(1), + 2 nu(3) bands of this molecule has been performed, leading to a precise set of rotational levels for its {(210), (111)} and {(300), (201), (102)} vibrational states. For the first set of states, it was necessary to introduce the undetected (012) state in the Hamiltonian model, and the observed levels of {(210), (111)} were least-squares fit using a Hamiltonian which takes explicitly into account both the Coriolis interactions between the levels of(210) and(111) and of(111)and (012), and the Darling-Dennison interaction between the levels of(210) and (012). For the second set of states, namely, {(300), (201), (102)}, the same type of situation occurs and it was necessary as well to introduce in the model the (003) vibrational state. In this way, all the experimental levels of {(210), (111)}, and {(300), (201), (102)} were calculated almost to within their experimental uncertainties and a precise set of vibrational energies and rotational and coupling constants was derived with the band centers nu(0) (2 nu(1) + nu(2)) = 5612.7107, nu(0)(nu(1) + nu(2) + nu(3)) = 5613.7546, nu(0) (3 nu(1)) = 6953.4607, nu(0) (2 nu(1) + nu(3)) = 6798.2084, and nu(0) (nu(1) + 2 nu(3))= 6798.0967 cm(-1). (C) 1994 Academic Press, Inc.
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页码:556 / 566
页数:11
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