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

• Main Author: Nakano, Masayoshi (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2014.
• Series: SpringerBriefs in Molecular Science,
• Subjects: Chemistry.; Physical chemistry.; Atoms.; Physics.; Optical materials.; Electronic materials.; Physical Chemistry.; Optical and Electronic Materials.; Atomic, Molecular, Optical and Plasma Physics.

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 electr...

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.