A density functional study of the effect of reduction on the geometry and electron affinity of hydrogen bonded 1,4-benzoquinone. Implications for quinone reduction and protonation in photosynthetic reaction centres

Chemical Physics Letters

Volumn 274, Issue 1-3, 1997, Pages 251-254

  O'Malley, Patrick J ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031206232     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00643-X     Document Type: Article

References (9)

1. [1] B.L. Trunpower, ed., Functions of Quinones in Energy Conserving Systems (Academic Press, New York, 1982).
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3. [3] D.K. Hanson, D.M. Tiede, S.L. Nance, C.-C. Chance, M. Schiffier, Proc. Natl. Acad. Sci. USA 90 (1993) 8929.
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5. [5] M.W. Frisch et al., GAUSSIAN 94 (Gaussian Inc., Pittsburgh, PA, 1994).
6. [6] C. Adamo, V. Barone, V. Fortunelli, J. Chem. Phys. 102 (1995) 1689.
7. [7] V. Barone, in: Recent Advances in Density Functional Methods, ed. D.P. Chong (World Scientific Publishing, Singapore, 1995).
8. [8] C.D. Cooper, W.D. Naff, R.N. Compton, J. Chem. Phys. 63 (1975) 2752.
9. [9] S. Chowdhury, T. Heinis, E.P. Grimsrud, P. Kebarle, J. Phys. Chem. 90 (1986) 2747.