1(st) row transition metal aluminylene complexes: preparation, properties and bonding analysis
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Published version
Author(s)
Kong, Richard Y
Crimmin, Mark R
Type
Journal Article
Abstract
The synthesis and spectroscopic characterisation of eight new first-row transition metal (M = Cr, Mn, Fe, Co, Cu) aluminylene complexes is reported. DFT and ab initio calculations have been used to provide detailed insight into the metal–metal bond. The σ-donation and π-backdonation properties of the aluminylene ligand are evaluated via NBO and ETS-NOCV calculations. These calculations reveal that these ligands are strong σ-donors but also competent π-acceptors. These properties are not fixed but vary in response to the nature of the transition metal centre, suggesting that aluminylene fragments can modulate their bonding to accommodate both electron-rich and electron-poor transition metals. Ab initio DLPNO-CCSD(T) calculations show that dispersion plays an important role in stabilising these complexes. Both short-range and long-range dispersion interactions are identified. These results will likely inform the design of next-generation catalysts based on aluminium metalloligands.
Date Issued
2021-04-30
Date Acceptance
2021-04-29
Citation
Dalton Transactions: an international journal of inorganic chemistry, 2021, 50 (22), pp.7810-7817
ISSN
1477-9226
Publisher
Royal Society of Chemistry
Start Page
7810
End Page
7817
Journal / Book Title
Dalton Transactions: an international journal of inorganic chemistry
Volume
50
Issue
22
Copyright Statement
© The Royal Society of Chemistry 2021. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
License URL
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000651415800001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Science & Technology
Physical Sciences
Chemistry, Inorganic & Nuclear
Chemistry
N-HETEROCYCLIC CARBENE
C-H
SIGMA-COMPLEXES
AL
ALUMINUM
COORDINATION
ALUMINATION
LIGAND
GA
SPECTROSCOPY
Publication Status
Published
Date Publish Online
2021-04-30