SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters

Excitation Energies and Properties of Open-Shell Singlet Molecules

Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission

Authors: Nakano, Masayoshi

  • -This book elucidates the correlation between the excitation energies/properties and the diradical characters, which means “bond weakness” or “electron correlation”, of open-shell singlet molecular systems.
  • -This book discusses linear and nonlinear optical response properties as a function of diradical character and presents diradical-character-based design principle for highly efficient nonlinear optical molecular systems
  • -This book discusses diradical-character-based design principle for molecular systems having efficient singlet fission, which has the possibility to overcome the limit of the photoelectric conversion efficiency of conventional organic photovoltaic cells. 
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eBook $39.99
price for USA (gross)
  • ISBN 978-3-319-08120-5
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $54.99
price for USA
  • ISBN 978-3-319-08119-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

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.

About the authors

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 the Institute for Molecular Science (IMS) (as JSPS Research Fellowships for Young Scientists). In 1992, he served as a research associate, in 2002 an associate professor, under the direction of Prof. Kizashi Yamaguchi in Department of Chemistry, Osaka University. In 1998, he received the 47th Young Scientist Award from the Chemical Society of Japan for “Development of non-perturbative calculation method and hyperpolarizability density analysis and molecular design of novel nonlinear optical compounds”. Since 2005, he is Professor at the Department of Materials Engineering Science, Osaka University. His research interests are quantum chemical study on the ground/excited state electronic structures and dynamics of open-shell molecular systems including nonlinear optical molecules and molecular aggregates, exciton dynamics of supramolecular systems including dendritic systems, singlet fission and quantum dynamics between atomic/molecular systems and quantized optical field using dissipative quantum mechanics. He received the “Research Excellence Award” from the European Society of Computational Methods in Science and Engineering (ESCMSE) in 2007. He has published over 250 original papers.

Table of contents (6 chapters)

  • Introduction

    Nakano, Masayoshi

    Pages 1-7

  • Electronic Structures of Symmetric Diradical Systems

    Nakano, Masayoshi

    Pages 9-26

  • Electronic Structures of Asymmetric Diradical Systems

    Nakano, Masayoshi

    Pages 27-41

  • Diradical Character View of (Non)Linear Optical Properties

    Nakano, Masayoshi

    Pages 43-77

  • Diradical Character View of Singlet Fission

    Nakano, Masayoshi

    Pages 79-112

Buy this book

eBook $39.99
price for USA (gross)
  • ISBN 978-3-319-08120-5
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $54.99
price for USA
  • ISBN 978-3-319-08119-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Excitation Energies and Properties of Open-Shell Singlet Molecules
Book Subtitle
Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission
Authors
Series Title
SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
Copyright
2014
Publisher
Springer International Publishing
Copyright Holder
The Author(s)
eBook ISBN
978-3-319-08120-5
DOI
10.1007/978-3-319-08120-5
Softcover ISBN
978-3-319-08119-9
Edition Number
1
Number of Pages
XII, 121
Number of Illustrations and Tables
26 b/w illustrations, 28 illustrations in colour
Topics