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Tunable binding of dinitrogen to a series of heterobimetallic hydride complexes

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Title: Tunable binding of dinitrogen to a series of heterobimetallic hydride complexes
Authors: Lau, S
White, A
Casely, I
Crimmin, M
Item Type: Journal Article
Abstract: The reaction of [Ru(H)2(N2)2(PCy3)2] (1) with β-diketiminate stabilized hydrides of Al, Zn, and Mg generates a series of new heterobimetallic complexes with either H2 or N2 ligated to the ruthenium center. Changing the main-group fragment of the M·Ru-N2 (M = Al, Zn, Mg) complexes can subtly alter the degree of binding, and therefore activation, of the diatomic ligand, as evidenced by the νN≡N absorptions in the infrared data. Experimental and computational data rationalize this tunable binding; decreasing the electronegativity of the main group in the order Al > Zn > Mg infers greater ionic character of these M·Ru-N2 complexes, and this in turn results in greater destabilization of the frontier molecular orbitals of ruthenium and therefore greater Ru(4d) → π*(N2) back-donation.
Issue Date: 10-Dec-2018
Date of Acceptance: 2-Aug-2018
URI: http://hdl.handle.net/10044/1/65394
DOI: https://dx.doi.org/10.1021/acs.organomet.8b00340
ISSN: 0276-7333
Publisher: American Chemical Society
Start Page: 4521
End Page: 4526
Journal / Book Title: Organometallics
Volume: 37
Issue: 23
Copyright Statement: © 2018 American Chemical Society
Sponsor/Funder: The Royal Society
Funder's Grant Number: UF090149
Keywords: Science & Technology
Physical Sciences
Chemistry, Inorganic & Nuclear
Chemistry, Organic
Chemistry
BASIS-SETS
SIGMA-COMPLEXES
HYDROGEN BOND
ALUMINUM
ZINC
MAGNESIUM
ELEMENTS
METAL
PSEUDOPOTENTIALS
COORDINATION
0302 Inorganic Chemistry
0305 Organic Chemistry
0399 Other Chemical Sciences
Organic Chemistry
Publication Status: Published
Online Publication Date: 2018-08-02
Appears in Collections:Chemistry
Faculty of Natural Sciences



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