The vibrational energy pattern in acetylene.: V.: 13C2H2

被引:38
作者
Di Lonardo, G
Fusina, L
Venuti, E
Johns, JWC
El Idrissi, MI
Liévin, J
Herman, M
机构
[1] Univ Bologna, Dipartimento Chim Fis & Inorgan, I-40136 Bologna, Italy
[2] Natl Res Council Canada, Steacie Inst Mol Sci, Ottawa, ON K1A 0R6, Canada
[3] Free Univ Brussels, Lab Chim Phys Mol, B-1050 Brussels, Belgium
关键词
D O I
10.1063/1.479381
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A total of 134 vibrational levels with assigned rotational structure have been gathered in the ground electronic state of (C2H2)-C-13. Most of these measurements are updated or new compared to the previously published data. Altogether, they cover the range up to 23 670 cm(-1). 118 out of the 119 levels observed below 13 000 cm(-1) have been simultaneously fitted using the so-called cluster model, already used to deal with the vibrational energy levels in other isotopomers of acetylene [El Idrissi , J. Chem. Phys. 110, 2074 (1999), and references therein]. Twenty-nine vibrational constants have been determined, including the off-diagonal parameters K-3/245, K-1/244, K-1/255, K-11/33, K-14/35, and r(45), with a rms of the fit equal to 0.52 cm(-1). The same three constants of the motion as in (C2H2)-C-12 emerged, N-s=v(1)+v(2)+v(3), N-r=5v(1)+3v(2)+5v(3)+v(4)+v(5) and k=l(4)+l(5). The energies of the levels above 13 000 cm(-1) calculated with the obtained parameters compare reasonably well with the experimental values. For all levels the predicted rotational constants compare satisfactorily with the experimental results. (C) 1999 American Institute of Physics. [S0021-9606(99)00326-8].
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页码:1008 / 1016
页数:9
相关论文
共 46 条
[1]   VIBRATION-ROTATION SPECTRA OF C-13-CONTAINING ACETYLENE - THE STRETCHING FUNDAMENTALS [J].
ALBONI, F ;
DILONARDO, G ;
FERRACUTI, P ;
FUSINA, L ;
VENUTI, E ;
MOHAMED, KA .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1995, 169 (01) :148-153
[2]  
[Anonymous], THESIS RICE U HOUSTO
[3]  
[Anonymous], CHEM PHYS LETT
[4]   INFRARED BANDS OF (C-12)2HD [J].
BALDACCI, A ;
GHERSETTI, S ;
HURLOCK, SC ;
RAO, KN .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 59 (01) :116-125
[5]  
Becucci M, 1998, J RAMAN SPECTROSC, V29, P237, DOI 10.1002/(SICI)1097-4555(199803)29:3<237::AID-JRS230>3.0.CO
[6]  
2-R
[7]   High resolution Raman spectroscopy from vibrationally excited states populated by a stimulated Raman process:: 2ν2-ν2 of 12C2H2 and 13C2H2 [J].
Bermejo, D ;
Cancio, P ;
Di Lonardo, G ;
Fusina, L .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (17) :7224-7228
[8]   High resolution Raman spectroscopy from vibrationally excited states populated by a stimulated Raman process.: Transitions from v2=1 in 12C2H2 and 13C2H2 [J].
Bermejo, D ;
Martínez, RZ ;
Di Lonardo, G ;
Fusina, L .
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (02) :519-524
[9]   OVERTONE SPECTRA AND ANHARMONIC RESONANCES IN HALOACETYLENES [J].
BORRO, AF ;
MILLS, IM ;
MOSE, A .
CHEMICAL PHYSICS, 1995, 190 (2-3) :363-371
[10]   QUARTIC ANHARMONIC RESONANCES IN ACETYLENES AND HALOACETYLENES [J].
BORRO, AF ;
MILLS, IM ;
VENUTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (10) :3938-3944