MOLECULAR-STRUCTURE OF TI8C12 AND RELATED COMPLEXES

被引：44
|
作者：
PAULING, L
机构：
[1] Linus Pauling Inst. of Sci. and Med., Palo Alto, CA 94306-2025
来源：
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 1992年 / 89卷 / 17期
关键词：
M8C12; M; V; ZR; AND HF; METAL CARBON DOUBLE BONDS; RESONANCE OF DOUBLE BONDS; COMPLEXES OF ETHYLENE;
D O I：
10.1073/pnas.89.17.8175
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
Application of valence-bond theory leads to the assignment to the molecule Ti8C12 of a cubic structure, point group O(h)m3mBAR, with 8 Ti at the cube corners, +/-(x x x, x xBAR xBAR, arrow curving up and over to the left)) where x = 1.78 angstrom, and with 12 C in pairs in the cube faces, +/-(0 y z, arrow curving up and over to the left), 0 yBAR zBAR, arrow curving up and over to the left) where y = 1.78 angstrom and z = 0.71 angstrom. The Ti-C and C-C bonds have bond number 4/3, corresponding to resonance of single and double bonds in 2:1 ratio.
引用
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页码：8175 / 8176
页数：2
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