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Issue 30, 2014
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Bent and planar structures of μ–η22-N2 dinuclear early transition metal complexes

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Abstract

This work studied the bent and planar structures of M2N2 cores of a series of dinuclear early transition-metal complexes (M = Zr, Hf, Nb, Ta, Mo and W) containing a side-on bridging dinitrogen ligand using DFT method. The calculated results propose three key factors favoring a bent structure: (1) the availability of a single electron in the metal centers which leads to the bonding interaction between two metal atoms, (2) no remarkable steric effect around the metal centers, and (3) the cis conformation of the ligands in the dinitrogen dinuclear complexes. In addition, the bent and planar structures of M2N2 could be transformed into each other if the steric hindrance was slight.

Graphical abstract: Bent and planar structures of μ–η2:η2-N2 dinuclear early transition metal complexes

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Article information


Submitted
03 Mar 2014
Accepted
15 May 2014
First published
15 May 2014

Dalton Trans., 2014,43, 11658-11666
Article type
Paper

Bent and planar structures of μ–η22-N2 dinuclear early transition metal complexes

X. Ma, Y. Tang and M. Lei, Dalton Trans., 2014, 43, 11658
DOI: 10.1039/C4DT00646A

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