VIBRATIONAL STUDIES OF CYCLOPENTANE - EFFECT OF 10-FOLD BARRIER TO PSEUDOROTATION

被引:10
作者
CHAO, TH
LAANE, J
机构
[1] Department of Chemistry, Texas A and M University, College Station
关键词
D O I
10.1016/0022-2852(78)90173-X
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
A computer program has been used to determine the effects of 10-fold potential energy (V10) and kinetic energy (B10) terms on the pseudorotational energy levels of cyclopentane. The magnitudes of the calculated perturbations on the spectra have been evaluated, and the values of V10 and B10 are shown to be less than 20 and 0.2 cm-1, respectively. © 1978.
引用
收藏
页码:357 / 360
页数:4
相关论文
共 18 条
[1]  
BAUMAN LE, 1977, THESIS TEXAS A M U
[2]   SPECTROSCOPIC DETERMINATION OF BARRIER TO PLANARITY IN CYCLOPENTANE [J].
CARREIRA, LA ;
WILLIS, JN ;
JIANG, GJ ;
PERSON, WB .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) :1440-&
[3]  
CHAO TH, 1972, THESIS TEXAS A M U
[4]   VIBRATIONAL-SPECTRA AND TORSIONAL BARRIER OF CYCLOPENTADIENYL BERYLLIUM BOROHYDRIDE, C5H5BEBH4 [J].
COE, DA ;
NIBLER, JW ;
COOK, TH ;
DREW, D ;
MORGAN, GL .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (11) :4842-4853
[5]  
DAVIDSON R, 1972, J CHEM SOC FARADAY T, P1875
[6]   VIBRATIONAL SPECTRA AND STRUCTURE OF SMALL-RING COMPOUNDS .X. SPECTROSCOPIC EVIDENCE FOR PSEUDOROTATION IN CYCLOPENTANE [J].
DURIG, JR ;
WERTZ, DW .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) :2118-&
[7]   ENERGY GRADIENTS IN EXTENDED HUCKEL THEORY - APPLICATION TO CYCLOPENTANE [J].
FERGUSON, TR ;
BECKEL, CL .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (04) :1905-1913
[8]   SPECTROSCOPIC EVIDENCE FOR PSEUDOROTATION .2. FAR-INFRARED SPECTRA OF TETRAHYDROFURAN AND 1,3-DIOXOLANE [J].
GREENHOUSE, JA ;
STRAUSS, HL .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :124-+
[9]   RING PUCKERING IN 5-MEMBERED RINGS .1. GENERAL THEORY [J].
HARRIS, DO ;
ENGERHOLM, GG ;
TOLMAN, CA ;
LUNTZ, AC ;
KELLER, RA ;
KIM, H ;
GWINN, WD .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) :2438-+
[10]   MOLECULAR GEOMETRY .1. MACHINE COMPUTATION OF COMMON RINGS [J].
HENDRICKSON, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (22) :4537-+