Novel U-shaped bichromorphoric systems for studying solvent-mediated electron transfer: Synthesis, x-ray structure, and computed electronic coupling

Synlett

Volumn , Issue 4, 1999, Pages 397-400

  Lokan, Nigel R ^a   Craig, Donald C ^a   Paddon Row, Michael N ^a  

^a UNIVERSITY OF NEW SOUTH WALES   (Australia)

Author keywords

Diels Alder; Donor acceptor; Electron transfer; Electronic coupling; U shaped cavities

Indexed keywords

KETONE; PROPANE; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; ELECTRON TRANSPORT; ENERGY TRANSFER; REACTION ANALYSIS; STRUCTURE ANALYSIS; SYNTHESIS; X RAY ANALYSIS; X RAY CRYSTALLOGRAPHY;

EID: 0032922330     PISSN: 09365214     EISSN: None     Source Type: Journal    
DOI: 10.1055/s-1999-2634     Document Type: Article

References (23)

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20. 3), 54.67 (CH), 55.29 (CH)
21. w were 0.068, 0.092 for the observed data. The structure was determined by direct phasing and Fourier methods. The solvate molecule was severely disordered, and was modelled as three identical components each refineable for translation, rotation and occupancy. Thermal motion was described using a 15 parameter TLX rigid body paramaterization. Positional and anisotropic thermal parameters for the remaining non-hydrogen atoms were refined using full matrix least squares. Hydrogen atoms were included in positions calculated each cycle and were assigned thermal parameters equal to those of the atom to which they were bonded. Full details have been deposited with the Cambridge Crystallographic Data Centre.
22. a) Koeberg, M.; Verhoeven, J.W. communication to MNPR.
23. b) Koeberg, M.; Verhoeven, J.W.; Piet, J.J.; Warman, J.; Lokan, N.R.; Paddon-Row, M.N. manuscript in preparation.