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Title
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The electronic structure of **N,N**-bis(3,5-di-**tert**-butylsalicylidene)-1,2-cyclohexane-diamino cobalt(II)
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Author
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Abstract
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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. |
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Language
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English
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Source (journal)
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Chemical physics letters. - Amsterdam, 1967, currens
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Publication
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Amsterdam
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2008
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ISSN
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0009-2614
[print]
1873-4448
[online]
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DOI
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10.1016/J.CPLETT.2008.08.103
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Volume/pages
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464
:1/3
(2008)
, p. 31-37
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ISI
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000259727400006
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Full text (Publisher's DOI)
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