MULTIPLICITY OF SUBSTITUTED ACYCLIC CARBENES AND RELATED MOLECULES

被引:97
作者
HARRISON, JF [1 ]
LIEDTKE, RC [1 ]
LIEBMAN, JF [1 ]
机构
[1] UNIV MARYLAND, DEPT CHEM, CATONSVILLE, MD 21228 USA
关键词
D O I
10.1021/ja00518a006
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
On the basis of various first principles calculation (most already in the literature) on substituted acyclic carbenes, nitrenium ions, and silylenes we suggest that the electronegativity of the substituents is an important, perhaps decisive, factor in determining the multiplicity of the ground state in these and the isoelectronic phosphenium ions. In particular as the substituents go from F to Li the ground state goes from singlet to triplet. © 1979, American Chemical Society. All rights reserved.
引用
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页码:7162 / 7168
页数:7
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