Excitation Energies and Properties of Open-Shell Singlet Molecules: Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission by Masayoshi NakanoExcitation Energies and Properties of Open-Shell Singlet Molecules: Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission by Masayoshi Nakano

Excitation Energies and Properties of Open-Shell Singlet Molecules: Applications to a New Class of…

byMasayoshi Nakano

Paperback | August 14, 2014

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This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electronic, optical and magnetic properties as well as to control them in the broad fields of physics and chemistry. It then provides the theoretical fundamentals of ground and excited electronic structures of symmetric and asymmetric open-shell molecular systems by using model molecular systems. Moreover, it presents the theoretical design guidelines for a new class of open-shell singlet molecular systems for nonlinear optics (NLO) and singlet fission.
Masayoshi Nakano was born on January 16, 1964 in Osaka, Japan and has obtained an M. Eng. in 1988 and Ph.D. in 1991 in Chemical Engineering at Osaka University. The subject of his Ph.D. thesis was "Theoretical Studies on the Nonlinear-Optical Properties of Organic Substances". During 1991-1992, he stayed with Prof. Keiichiro Nasu at th...
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Title:Excitation Energies and Properties of Open-Shell Singlet Molecules: Applications to a New Class of…Format:PaperbackDimensions:121 pagesPublished:August 14, 2014Publisher:Springer-Verlag/Sci-Tech/TradeLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:3319081195

ISBN - 13:9783319081199

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Table of Contents

Introduction.- Electronic Structures of Symmetric Diradical Systems.- Electronic Structures of Asymmetric Diradical Systems.- Diradical Character View of (Non)linear Optical Properties.- Diradical Character View of Singlet Fission.- Summary.