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Dinitrogen metal complexes with a strongly activated N-N bond: a computational investigation of [(Cy 2 N) 3 Nb-(μ-NN)-Nb(NCy 2 ) 3 ] and related [Nb-(μ-NN)-Nb] systems

Date

Authors

Cavigliasso, German

Stranger, Robert

Yates, Brian F

Publisher

Royal Society of Chemistry

Abstract

The structural and bonding properties of the dinitrogen-bridged diniobium [(Cy2N)3Nb(μ-NN)Nb(NCy2)3] complex experimentally characterized by Berno and Gambarotta, which exhibits a strongly activated N-N bond of 134 pm, have been explored using density fu

Keywords

Keywords: Bonding mechanism; Bonding property; Chemical compositions; Computational investigation; Density-functional methods; Dinitrogen; Geometric properties; Geometry optimization; Intramolecular interactions; Model complexes; Steric factor; Steric interactions;

URI

http://hdl.handle.net/1885/61664

Collections

ANU Research Publications

Source

Dalton Transactions

Type

Journal article

DOI

10.1039/C2DT31845H

Restricted until

2037-12-31

Downloads

File

Description

01_Cavigliasso_Dinitrogen_metal_complexes_2012.pdf (2.88 MB)