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Dielectric and Absorbate Effects on the Optical Properties of Phosphazenes

Published online by Cambridge University Press:  16 February 2011

KIM F. Ferris ,
W. D. Samuels ,
Y. Morita  and
G. J. Exarhos
KIM F. Ferris
Affiliation:
Pacific Northwest Laboratory, Materials and Chemical Sciences Center, P.O. Box 999, Richland, WA 99352
W. D. Samuels
Affiliation:
Pacific Northwest Laboratory, Materials and Chemical Sciences Center, P.O. Box 999, Richland, WA 99352
Y. Morita
Affiliation:
Pacific Northwest Laboratory, Materials and Chemical Sciences Center, P.O. Box 999, Richland, WA 99352
G. J. Exarhos
Affiliation:
Pacific Northwest Laboratory, Materials and Chemical Sciences Center, P.O. Box 999, Richland, WA 99352
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Abstract

The optical response of polyphosphazenes can be directly related to the π (out-of-plane) and π′ (in-plane) bonding interactions intrinsic to the electronic structure of these Materials. Altering this structure either by hydrogen bonding or absórbate effects, affects both the linear and nonlinear optical susceptibilities. In this paper, we have performed electronic structure calculations on the cyclic Molecules, P3N3 (NHCH3)6, P3N3(SCH3)6, P3N3 (OCH3)6 and P4N4 (NHCH3)8 as model systems for the polymer. Charge distribution arguments are discussed to explain the influence of a polarizing electric field on the π bonding systems, and are used to suggest methods to enhance their nonlinearities.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 328: Symposium Q – Electrical, Optical, and Magnetic Properties of Organic Solid State Materials , 1993 , 769
Copyright
Copyright © Materials Research Society 1994

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References

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