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Correlation of Substituent Parameter Values to Electronic Properties of Molecules

Published online by Cambridge University Press:  11 February 2011

Natalie Carroll ,
Nikita Matsunaga  and
Karl Sohlberg
Natalie Carroll
Affiliation:
Chemistry Department, Drexel University, Philadelphia, PA, 19104, U.S.A.
Nikita Matsunaga
Affiliation:
Department of Chemistry and Biochemistry, Long Island University, Brooklyn N.Y., 11201, U.S.A.
Karl Sohlberg
Affiliation:
Chemistry Department, Drexel University, Philadelphia, PA, 19104, U.S.A.
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Abstract

There are a vast number of organic compounds that could be considered for use in molecular electronics. Because of this, the need for efficient and economical screening tools has emerged. We have demonstrated that the substituent parameter values (σ), commonly found in advanced organic chemistry textbooks, correlate very strongly with features of the charge migration process. This result supports the use of the σ values as a low cost time saving tool in the selection of compounds for use in molecular electronic devices.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 761: Symposia B/C/D/F/G/NN – Molecular Electronics , 2002 , B9.63
Copyright
Copyright © Materials Research Society 2003

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References

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