Two States Are Not Enough: Quantitative Evaluation of the Valence-Bond Intramolecular Charge-Transfer Model and Its Use in Predicting Bond Length Alternation Effects

PD Jarowski; Y Mo

doi:10.1002/chem.201404978

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Two States Are Not Enough: Quantitative Evaluation of the Valence-Bond Intramolecular Charge-Transfer Model and Its Use in Predicting Bond Length Alternation Effects

Journal article

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Two States Are Not Enough: Quantitative Evaluation of the Valence-Bond Intramolecular Charge-Transfer Model and Its Use in Predicting Bond Length Alternation Effects

PD Jarowski and Y Mo

CHEMISTRY-A EUROPEAN JOURNAL, Vol.20(51), pp.17214-17221

15/12/2014

DOI: https://doi.org/10.1002/chem.201404978

Abstract

Science & Technology

Physical Sciences

Chemistry

Multidisciplinary

Chemistry

block-localized wavefunction

bond length alternation

intramolecular charge transfer

push-pull chromophore

valence bond theory

NONLINEAR-OPTICAL PROPERTIES

DONOR-ACCEPTOR POLYENES

PUSH-PULL CHROMOPHORES

ELECTRONIC-STRUCTURE

1ST HYPERPOLARIZABILITY

ORGANIC-MOLECULES

STABILIZATION

ENERGIES

POLARIZABILITIES

DELOCALIZATION

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Title: Two States Are Not Enough: Quantitative Evaluation of the Valence-Bond Intramolecular Charge-Transfer Model and Its Use in Predicting Bond Length Alternation Effects
Creators: PD Jarowski
Y Mo
Publication Details: CHEMISTRY-A EUROPEAN JOURNAL, Vol.20(51), pp.17214-17221
Publisher: WILEY-V C H VERLAG GMBH
Date published: 15/12/2014
Date submitted: 17/05/2017
Identifiers: 99511614202346
Academic Unit: University of Surrey
Language: English
Resource Type: Journal article

Two States Are Not Enough: Quantitative Evaluation of the Valence-Bond Intramolecular Charge-Transfer Model and Its Use in Predicting Bond Length Alternation Effects

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