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Activation and cleavage of dinitrogen by three-coordinate metal complexes involving Mo(III) and Nb(II/III)

Date

Authors

Christian, Gemma

Stranger, Robert

Publisher

Royal Society of Chemistry

Abstract

Density functional calculations have been employed to rationalize why the heteronuclear N2-bridged MoIIINbIII dimer, [Ar(tBu)N]3Mo(μ-N2)Nb[N(iPr)Ar] 3 (Ar = 3,5-C6H3Me2), does not undergo cleavage of the dinitrogen bridge in contrast to the analogous Mo

Keywords

Keywords: Approximation theory; Chemical activation; Chemical bonds; Complexation; Dimers; Ground state; Nitrogen; Optimization; Cleavage reactions; Dinitrogen; Local density approximation (LDA); Protonation; Molybdenum compounds

URI

http://hdl.handle.net/1885/86424

Collections

Open Access Research

Source

Dalton Transactions

Type

Journal article

DOI

10.1039/b407515c

Restricted until

2037-12-31

Downloads

File

Description

01_Christian_Activation_and_cleavage_of_2004.pdf (379.35 KB)