EXPERIMENTAL AND THEORETICAL COMPTON PROFILES OF CIS AND TRANS-2-BUTENE

被引：1

作者：

HOLT, RS ^{[1
]}

COOPER, M ^{[1
]}

HIRST, DM ^{[1
]}

机构：

[1] UNIV WARWICK,DEPT MOLEC SCI,COVENTRY CV4 7AL,WARWICKSHIRE,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 55卷 / 02期

关键词：

D O I：

10.1016/0009-2614(78)87019-5

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 Compton profiles of the geometric isomers cis and trans-2-butne (C4H8) have been measured in the gas phase using 59.54 keV gamma rays. The measured profiles are compared with profiles derived from SCF and LMO models. No significant differences between the measured profiles are observed. However, comparison with the theoretical profiles shows that in both cases the measured profiles are broader, having J(0) values between 1 and 5% lower than those predicted by theory. © 1978.

引用

页码：284 / 288

页数：5

共 14 条

[11] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .4. INTERNAL ROTATION IN HYDROCARBONS USING A MINIMAL SLATER-TYPE BASIS
RADOM, L
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) : 4786 - &
[12] REED WH, UNPUBLISHED
[13] SAUNDERS VR, ATMOL3 RUTH LAB ATL
[14] LOCALIZED MOLECULAR-ORBITAL STUDIES IN MOMENTUM SPACE .1. COMPTON PROFILES OF 1S CORE ELECTRONS AND HYDROCARBONS
SMITH, VH
WHANGBO, MH
[J]. CHEMICAL PHYSICS, 1974, 5 (02) : 234 - 243

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