A computational investigation of the photophysical, electronic and bonding properties of exciplex-fo...

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منو

" A computational investigation of the photophysical, electronic and bonding properties of exciplex-forming van der Waals systems "
Pankaj Sinha M. A. W. Omary, Angela K.

Document Type	:	Latin Dissertation
Language of Document	:	English
Record Number	:	54756
Doc. No	:	TL24710
Call number	:	‭1452029‬
Main Entry	:	Pankaj Sinha
Title & Author	:	A computational investigation of the photophysical, electronic and bonding properties of exciplex-forming van der Waals systems\ Pankaj Sinha
College	:	University of North Texas
Date	:	2007
Degree	:	M.S.
student score	:	2007
Page No	:	78
Abstract	:	Calculations were performed on transition-metal complexes to (1) extrapolate the structure and bonding of the ground and phosphorescent states (2) determine the luminescence energies and (3) assist in difficult assignment of luminescent transitions. In the [Pt(SCN)4]2- complex, calculations determined that the major excited-state distortion is derived from a b 2g bending mode rather than from the a1g symmetric stretching mode previously reported in the literature. Tuning of excimer formation was explained in the [Au(SCN)2]22- by interactions with the counterion. Weak bonding interactions and luminescent transitions were explained by calculation of Hg dimers, excimers and exciplexes formed with noble gases.
Subject	:	Pure sciences; Chemistry; 0488:Chemistry
Added Entry	:	M. A. W. Omary, Angela K.
Added Entry	:	University of North Texas
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