Volume 27, Issue 4 pp. 697-702

Full Paper

π Type Lithium Bond Interaction between Ethylene, Acetylene, or Benzene and Amido-lithium

Kun YUAN,

Kun YUAN

College of Life-science and Chemistry, Tianshui Normal University, Tianshui, Gansu 741001, China

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Yanzhi LIU,

Yanzhi LIU

College of Life-science and Chemistry, Tianshui Normal University, Tianshui, Gansu 741001, China

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Lingling LÜ,

Lingling LÜ

College of Life-science and Chemistry, Tianshui Normal University, Tianshui, Gansu 741001, China

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Yuancheng ZHU,

Yuancheng ZHU

[email protected]

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Ji ZHANG,

Ji ZHANG

College of Life Science, Northwest Normal University, Lanzhou, Gansu 730070, China

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Junyan ZHANG,

Junyan ZHANG

State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou, Gansu 730000, China

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Kun YUAN,

Kun YUAN

College of Life-science and Chemistry, Tianshui Normal University, Tianshui, Gansu 741001, China

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Yanzhi LIU,

Yanzhi LIU

College of Life-science and Chemistry, Tianshui Normal University, Tianshui, Gansu 741001, China

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Lingling LÜ,

Lingling LÜ

College of Life-science and Chemistry, Tianshui Normal University, Tianshui, Gansu 741001, China

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Yuancheng ZHU,

Yuancheng ZHU

[email protected]

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Ji ZHANG,

Ji ZHANG

College of Life Science, Northwest Normal University, Lanzhou, Gansu 730070, China

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Junyan ZHANG,

Junyan ZHANG

State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou, Gansu 730000, China

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First published: 06 May 2009

https://doi.org/10.1002/cjoc.200990114

Citations: 11

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Abstract

The optimization geometries and interaction energy corrected by basis set super-position error (BSSE) of the lithium bond complexes between ethylene, acetylene, or benzene and amido-lithium have been calculated at the B3LYP/6-311++G∗︁∗︁ and MP2/6-311++G∗︁∗︁ levels. And only one configuration was obtained for each lithium bond system. All the equilibrium geometries were confirmed to be stable state by analytical frequency computations. The calculations showed that all the N(2)–Li(4) bond lengths increased obviously and the red shift of N(2)–Li(4) stretching frequency occurred after complexes formed. The calculated binding energies with BSSE and zero-point vibrational energy corrections of complexes I, II and III are −26.04, −24.86 and −30.02 kJ·mol⁻¹ via an MP2 method, respectively. Natural bond orbital (NBO) theory analysis revealed that the three complexes were all formed with π type lithium bond interaction between ethylene, acetylene, or benzene and amido-lithium.

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Volume27, Issue4

April, 2009

Pages 697-702

π Type Lithium Bond Interaction between Ethylene, Acetylene, or Benzene and Amido-lithium

Abstract

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π Type Lithium Bond Interaction between Ethylene, Acetylene, or Benzene and Amido-lithium

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