Jet-cooled rotational spectra and structure of the cyclobutanone ••• hydrogen chloride complex

被引:9
作者
Antolínez, S [1 ]
López, JC [1 ]
Alonso, JL [1 ]
机构
[1] Univ Valladolid, Fac Ciencias, Dept Quim Fis, E-47005 Valladolid, Spain
关键词
D O I
10.1016/S0009-2614(00)00481-4
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
The rotational spectra of three isotopic species C(4)H(6)O ... H(35)Cl, C(4)H(6)O ... H(37)Cl and C(4)H(6)O ... D(35)Cl of the hydrogen-bonded dimer formed by cyclobutanone and hydrogen chloride have been studied by means of microwave spectroscopy in a supersonic jet. Rotational constants, centrifugal distortion constants and Cl-nuclear quadrupole coupling parameters have been determined for the ground state and for a vibrationally excited state attributable to the ring-puckering motion of the cyclobutanone subunit. The spectroscopic constants have been interpreted in terms of a C(s) symmetry in which the monomers are coplanar with: r(O ... H) = 1.86(3) Angstrom, angle(C=O ... H) = 112.3(7)degrees and a deviation theta of the O ... H-Cl nuclei from collinearity of 13.1(6)degrees. (C) 2000 Elsevier Science B.V. All rights reserved.
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页码:130 / 136
页数:7
相关论文
共 27 条
[1]   Construction of a molecular beam Fourier transform microwave spectrometer used to study the 2,5-dihydrofuran-argon van der Waals complex [J].
Alonso, JL ;
Lorenzo, FJ ;
Lopez, JC ;
Lesarri, A ;
Mata, S ;
Dreizler, H .
CHEMICAL PHYSICS, 1997, 218 (03) :267-275
[2]   THE CENTIMETER AND MILLIMETER MICROWAVE-SPECTRUM OF CYCLOBUTANONE [J].
ALONSO, JL ;
SPIEHL, R ;
GUARNIERI, A ;
LOPEZ, JC ;
LESARRI, AG .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1992, 156 (02) :341-359
[3]  
ALONSO JL, 1993, NATO ADV SCI INST SE, V410, P197
[4]  
ALONSO JL, IN PRESS
[5]  
Antolínez S, 1999, ANGEW CHEM INT EDIT, V38, P1772, DOI 10.1002/(SICI)1521-3773(19990614)38:12<1772::AID-ANIE1772>3.0.CO
[6]  
2-3
[7]   THE ROTATIONAL AND HYPERFINE SPECTRUM AND STRUCTURE OF H2CO-HF [J].
BAIOCCHI, FA ;
KLEMPERER, W .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :3509-3520
[8]   FAR-INFRARED SPECTRA OF TRIMETHYLENE SULFIDE AND CYCLOBUTANONE [J].
BORGERS, TR ;
STRAUSS, HL .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (03) :947-&
[9]   SUBMILLIMETER-WAVE SPECTRA AND EQUILIBRIUM STRUCTURES OF HYDROGEN HALIDES [J].
DELUCIA, FC ;
HELMINGER, P ;
GORDY, W .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1971, 3 (06) :1849-+