Comments on "geometrical changes during the internal rotation in ethane"

被引：15

作者：

Veillard, A. ^{[1
]}

机构：

[1] Univ Strasbourg 1, Inst Chim, F-67008 Strasbourg, France

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 3卷 / 08期

关键词：

D O I：

10.1016/0009-2614(69)85109-2

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：

In an article by H.J. Monkhorst in a previous issue of this journal it is stated that the predominant geometrical change during the internal rotation in ethane is a stretching of the CC bond and that the rotation barrier presumably originates from the central bond only. These statements appear either erroneous or at variance with the findings of other authors.

引用

页码：565 / 566

页数：2

共 6 条

[1] QUANTUM MECHANICAL CALCULATIONS ON BARRIERS TO INTERNAL ROTATION .2. BORAZANE MOLECULE BH3-NH3 [J].

MOIREAU, MC ;

VEILLARD, A .

THEORETICA CHIMICA ACTA, 1968, 11 (04) :344-&

[2] Geometrical changes during the internal rotation in ethane [J].

Monkhorst, H. J. .

CHEMICAL PHYSICS LETTERS, 1969, 3 (05) :289-291

[3] BOND-FUNCTION ANALYSIS OF ROTATIONAL BARRIERS - ETHANE [J].

SOVERS, OJ ;

KERN, CW ;

PITZER, RM ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (06) :2592-&

[4]

SPITZER RM, 1967, J CHEM PHYS, V47, P965

[5] Distortional effects on the ethane internal rotation barrier and rotatfon barriers in borazane and methylsilane [J].

Veillard, A. .

CHEMICAL PHYSICS LETTERS, 1969, 3 (03) :128-130

[6] THEORY OF ORIGIN OF INTERNAL-ROTATION BARRIER IN ETHANE MOLECULE . I [J].

WYATT, RE ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S217-+

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