The electronic structure of N,N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino cobalt(II)

Vinck, Evi, Van Doorslaer, Sabine, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 and Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182 2008. The electronic structure of N,N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino cobalt(II). Chemical Physics Letters 464 (1-3) , pp. 31-37. 10.1016/j.cplett.2008.08.103

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Abstract

A combined electron paramagnetic resonance (EPR) and density functional theory (DFT) investigation of the N,N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino cobalt(II) complex was undertaken. This complex displays remarkable selectivity for the hydrolytic kinetic resolution of epoxides after activation with a suitable acid. The EPR data show that the complex possesses a |yz,2A2〉 ground state. The nitrogen and proton hyperfine, and nitrogen nuclear-quadrupole values, obtained from HYSCORE experiments, could be interpreted using complementary DFT results. Addition of acetic acid to the cobalt(II) complex under a N2 atmosphere, resulted in the formation of new high-spin and low-spin Co(II) species, the latter possessing a |z2,2A1〉 ground state.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Publisher:	Elsevier
ISSN:	0009-2614
Date of Acceptance:	31 August 2008
Last Modified:	17 Oct 2022 09:55
URI:	https://orca.cardiff.ac.uk/id/eprint/6158

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