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Capturing and Analyzing the Excited-State Structure of a Cu(l) Phenanthroline Complex by Time-Resolved Diffraction and Theoretical Calculations.

Time-resolved crystallography and density functional theory calculations are used to analyze the geometric and electronic changes that occur upon photoexcitation of [Cu(l)(dmp)(dppe)][sup+] in crystalline [Cu(l)(dmp)(dppe)][PF[sub6]] [dmp = 2,9-dimethyl-1 , 1 0-phenanthroline; dppe = 1 ,2-bis(diphen...

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Published in:Journal of the American Chemical Society Vol. 131; no. 18; pp. 6566 - 6574
Main Authors: Vorontsov, Ivan I., Graber, Tim, Kovalevsky, Andrey Yu., Novozhilova, Irma V., Gembicky, Milan, Yu-Sheng Chen, Coppens, Philip
Format: Article
Published: American Chemical Society 5/13/2009
Subjects:
Excited state chemistry
Density functionals
Crystals
Phenyl compounds
Electron distribution
Charge exchange
Copper
Online Access:View this record in EBSCOhost