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Bond length features of linear carbon chains of finite to infinite size: Visual interpretation from Pauling bond orders

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Bond length features of linear carbon chains of finite to infinite size Visual interpretation from Pauling bond orders.htm (404bytes)
Date
2003-05-23
Author
Cao, ZX
曹泽星
Wu, W
吴玮
Zhang, Q
张乾二
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  • 化学化工-已发表论文 [14469]
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Abstract
Schemes for Kekule structure counting of linear carbon chains are suggested. Mathematical formulas, which calculate the Pauling bond order P(k, N) of a chemical bond numbered by k, are given for the carbon chain with N carbon atoms. By use of the least-squares fitting of a linearity, relationships between Pauling bond orders and bond lengths are obtained, and such correlation of the Pauling bond order-bond length can be qualitatively extended to the excited states. The relative magnitudes of Pauling bond orders in unsaturated carbon chains dominate C-C bond lengths a well as the bond length feature with the chain size increasing. (C) 2003 Wiley Periodicals, Inc.
Citation
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2003,94(3):144-149
URI
http://dx.doi.org/doi:10.1002/qua.10628
https://dspace.xmu.edu.cn/handle/2288/12116

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