MOLECULAR ROTATION AND ISOMERIZATION IN HYDROGEN ISOCYANIDE

被引：12

作者：

CHAN, WT ^{[1
]}

SHEN, DL ^{[1
]}

PRITCHARD, HO ^{[1
]}

机构：

[1] YORK UNIV,DEPT CHEM,DOWNSVIEW,ON M3J 1P3,CANADA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1995年 / 91卷 / 12期

关键词：

D O I：

10.1039/ft9959101717

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：

Molecular rotation appears to accelerate the randomisation of energy in the HNC molecule, but in the limit of very high rotational energy, it reduces the overall rate of isomerisation. Since the rotational motion is highly regular, but the vibrational motion is only partly so, various qualitative indicators of chaotic behaviour give conflicting diagnoses. Parallel calculations on the isomerisation of isocyanogen (CN-CN) to cyanogen (NC-CN) reveal that isocyanogen behaves more like the smalt molecule HNC than the large molecule CH3NC.

引用

页码：1717 / 1721

页数：5

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