ANALYSIS OF CRYSTAL PACKING FOR TCNQ COMPLEXES

被引：0

作者：

Jian Minxie ^{[1
]}

Fu Heng ^{[1
]}

Tang Youqi ^{[1
]}

Xu Xiaojie ^{[2
]}

机构：

[1] Acad Sinica, Inst Chem, Beijing 100080, Peoples R China

[2] Peking Univ, Inst Phys Chem, Beijing, Peoples R China

来源：

ACTA PHYSICO-CHIMICA SINICA | 1988年 / 4卷 / 02期

关键词：

D O I：

10.3866/PKU.WHXB19880202

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：

This paper deals with 1-N-methyl-cinnoline TCNQ complex(1-N-M-cl TCNQ(2)) and 2-N-methyl-cinnoline TCNQ complex (2-N-M TCNQ(2)), The molecular packing analyses of both complex crystals were performanced by using. OPEC program, The potential energies of 1-N-M TCNQ(2) and 2-N-M TCNQ(2) are -70,194 kcal mol(-1) and -66,945 kcal mol(-1), respectively. The result shows that the less anisotropy in dimensions of planar dondor molecules is, the less effect on the arrangement of TCNQ and the more favourable for TCNQ molecules to arrange in one-dimensional column there is.

引用

页码：117 / 122

页数：6

共 23 条

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