MICROWAVE SPECTRUM AND STRUCTURE OF BICYCLO[1.1.0]BUTANE

被引:163
作者
COX, KW
HARMONY, MD
NELSON, G
WIBERG, KB
机构
[1] Department of Chemistry, University of Kansas, Lawrence
[2] Department of Chemistry, Yale University, New Haven, CT
关键词
D O I
10.1063/1.1671318
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 microwave spectra of four isotopic species of bicyclo[1.1.0] butane have been investigated and the rotational constants of each species have been determined. Combining these data with those of the previously studied normal isotopic species, a complete set of structural parameters have been found. These include C1-C3= 1.497 Å, C2-C 4= 1.498 Å, C2-C3= 1.071 Å C-H (methylene) = 1.093 Å, ∠C1C3H6= 128°22′, dihedral angle, α, between cyclopropane rings =121°40′, ∠HCH=115°34′. These results are discussed with regard to the electronic structure of the molecule.
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页码:1976 / &
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