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Citation: Jian Minxie*, Fu Heng, Tang Youqi,
Xu Xiaojie. ANALYSIS OF CRYSTAL PACKING FOR TCNQ COMPLEXES[J]. Acta Physico-Chimica Sinica, ;1988, 4(02): 117-122. doi: 10.3866/PKU.WHXB19880202 shu

ANALYSIS OF CRYSTAL PACKING FOR TCNQ COMPLEXES

1.
Institute of Chemistry; Academia Sinica; Beijing
Institute of Physical Chemistry; Peking University

Received Date: 26 July 1986
Available Online: 15 April 1988

This paper deals with 1-N-methyl-cinnoline TCNQ complex(1-N-M_(ci) TCNQ_2) and 2-N-methyl-cinnoline TCNQ complex(2-N-M_(ci) TCNQ_2).The molecular packing analyses of both complex crystals were performanced by using. OPEC program. The potential energies of 1-N-M_(ci) TCNQ_2 and 2-N-M_(ci) 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.
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