MICROWAVE SPECTRUM OF GERMACYCLOPENTANE

被引:32
作者
THOMAS, EC
LAURIE, VW
机构
[1] Department of Chemistry, Princeton University, Princeton
[2] Shell Development Company, Houston, TX
关键词
D O I
10.1063/1.1671796
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 spectrum of four Ge isotopic species of the five-membered heterocycle germacyclopentane (C4H10Ge) has been investigated in the region 8-22 GHz. Rotational constants for the ground state of the 74Ge species are: A =5323.7, B = 2842.20, C = 2041.52 MHz. From excited states assigned to the lowest ring-deformation mode, a lower limit of about 500 cm-1 has been estimated for the barrier to pseudorotation. The molecule is found to be permanently twisted into a C 2 conformation with a twist angle of 18°, ∠ CGeC = 98°, ∠ GeCC = 106°, and ∠ CCC = 115°. Stark-effect measurements give a dipole moment of 0.665±0.007 D. For the 73Ge species, the nuclear quadrupole coupling constants are found to be xaa = 15.89 MHz, xbb = -10.29 MHz, xcc= -5.60 MHz.
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页码:4327 / &
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