ENGLISH

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

By Masayoshi Nakano (auth.)

Book information

Publisher
Springer International Publishing
Year
2014
ISBN
978-3-319-08119-9, 978-3-319-08120-5
DOI
10.1007/978-3-319-08120-5
Language
english
Format
PDF
Filesize
4 MB (4610701 bytes)
Series
SpringerBriefs in Molecular Science - SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
Edition
1
Pages
121\129
Time added
2014-11-10 20:00:00
MolecularOptical and Plasma PhysicsPhysical Chemistry; Optical and Electronic Materia

Description

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.

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