Citation: Ji Hai LI, Sheng Yu FENG, Jian Jun GAO. Theoretical Study on the Molecular Orbital and Stabilization Energy of Substituted Lithium Carbene Cations[J]. Chinese Chemical Letters, ;1998, 9(4): 411-414. shu

Theoretical Study on the Molecular Orbital and Stabilization Energy of Substituted Lithium Carbene Cations

College of Chemisny, Shandong University, Jinan 250100

Received Date: 27 July 1997

The stabilization energies of substituted lithium carbene cations were calculated by using ab initio molecular orbital theory, and the relationship between the stabilization energies and molecular orbitals was discussed. The substituents with n donor engender strong stabilization to CH₂Li⁺. The calculations show the Y-C^* bond lengths of cations become shorter and H-Y bond lengths longer than those of corresponding neutral molecules.
- ab initio molecular orbital,
- stabilization energy,
- lithium carbene cation,
- engender
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