Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond
The copper-sulphur bond which binds cysteinate to the metal centre is a key factor in the spectroscopy of blue copper proteins. We present theoretical calculations describing the electronically excited states of small molecules, including CuSH, CuSCH_3, (CH_3)_2SCuSH, (imidazole)-CuSH and (imidazole...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2012
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| Online Access: | http://eprints.nottingham.ac.uk/29975/ http://eprints.nottingham.ac.uk/29975/ http://eprints.nottingham.ac.uk/29975/ http://eprints.nottingham.ac.uk/29975/1/cush.pdf |