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Prediction of Nonlinear Optical Effects for Phenyl-Substituted Nickel Dithiolenes

Published online by Cambridge University Press:  03 September 2012

Steven Trohalaki ,
Robert J. Zellmer  and
Ruth Pachter
Steven Trohalaki
Affiliation:
Technical Management Concepts, Inc., P.O. Box 340345, Beavercreek, OH 45434–0345, trohals@ml.wpafb.af.mil
Robert J. Zellmer
Affiliation:
Anteon Corp., 5100 Springfield Pike, Suite 509, Dayton, OH 45431, zellmerj@picard.ml.wpafb.af.mil
Ruth Pachter
Affiliation:
Wright Laboratory, WL/MLPJ, 3005 P Street, Suite 1, Wright-Patterson Air Force Base, OH 45433–7702, pachterr@ml.wpafb.af.mil
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Abstract

Nickel dithiolene complexes, known for their strong NIR absorptions, high thermal stability, and lightfastness, are being considered for nonlinear-optical applications. In particular, phenylsubstituted nickel dithiolenes may be of interest because it has recently been shown that the hyperpolarizability of a phenyl-substituted 1,3-dithiole can be strongly dependent on the torsional angle of the phenyl group relative to the dithiole ring [1]. We report results from Hartree-Fock ab initio calculations of the second hyperpolarizability as a function of phenyl torsion.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 479: Symposium S – Materials for Optical Limiting II , 1997 , 325
Copyright
Copyright © Materials Research Society 1997

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