Synthesis, Crystal Structures and Quantum Chemistry Study of Scorpionates  Oxovadium Complexes

Chem. J. Chinese Universities

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Synthesis, Crystal Structures and Quantum Chemistry Study of Scorpionates Oxovadium Complexes

XING Yong-Heng^1*, SUN Zheng², GE Mao-Fa², BAI Feng-Ying¹, NIU Shu-Yun¹, YANG Guang-Di³, YE Ling³

1. College of Chemistry and Chemical Engineeing, Liaoning Normal University,
Dalian 116029, China;
2. Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China; 3. Key Laboratory for supramolecular Structure and Materials of Ministry of
Education, Jilin University, Changchun 130023, China

Received:2005-06-02 Revised:1900-01-01 Online:2006-06-10 Published:2006-06-10
Contact: XING Yong-Heng

Abstract

Abstract: Two new complexes of VO(acac)[HB(pz)₃](1) and VO(acac)[HB(3,5-Me₂pz)₃]·CH₃CN(2) were synthesized by using tripyrazolylborate ligand. Both complexes were characterized by element analysis, IR spectra, UV-Vis spectra and their crystal structures were determined by X-ray diffraction. The electronic structure and the bonding characters of the two complexes were calculated with ab initio and Natural Bonding Orbital analysis.

Key words: Vanadium complexes, Polypyrazolylborate, Crystal structure, Quantum chemistry, Bioactivity

CLC Number:

O641

TrendMD:

XING Yong-Heng^1*, SUN Zheng², GE Mao-Fa², BAI Feng-Ying¹, NIU Shu-Yun¹, YANG Guang-Di³, YE Ling³. Synthesis, Crystal Structures and Quantum Chemistry Study of Scorpionates Oxovadium Complexes[J]. Chem. J. Chinese Universities, doi: .

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Synthesis, Crystal Structures and Quantum Chemistry Study of Scorpionates Oxovadium Complexes

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