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
|
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: | Schools > Chemistry |
| Publisher: | Elsevier |
| ISSN: | 0009-2614 |
| Date of Acceptance: | 31 August 2008 |
| Last Modified: | 02 Oct 2025 20:18 |
| URI: | https://orca.cardiff.ac.uk/id/eprint/6158 |
Citation Data
Cited 14 times in Scopus. View in Scopus. Powered By Scopus® Data
Actions (repository staff only)
 |
Edit Item |
Dimensions
Dimensions