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

Vinck, E., Doorslaer, S. V., Murphy, Damien Martin and Fallis, Ian Andrew 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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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
Last Modified: 04 Jun 2017 01:56

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