期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 130, 期 29, 页码 9248-+出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja801211p
关键词
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The structures and bonding of GB(6)(-), C2B5-, and CB62- are investigated by photoelectron spectroscopy and ab initio calculations. It is shown that the global minimum structures for these systems are distorted heptacyclic structures. The previously reported hexacyclic structures with a hypercoordinate central carbon atom are found to be significantly higher in energy and were not populated under current experimental conditions. The reasons why carbon avoids hypercoordination in these planar carbon-boron clusters are explained through detailed chemical-bonding analyses.
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