Diradicaloids  book cover
1st Edition


Edited By

Jishan Wu

ISBN 9789814968089
Published April 1, 2022 by Jenny Stanford Publishing
638 Pages 109 Color & 188 B/W Illustrations

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Book Description

π-Conjugated molecules with an even number of π-electrons usually have a closed-shell ground state. However, recent studies have demonstrated that a certain type of molecules could show open-shell singlet ground state and display diradical-like (diradicaloid) behavior. Their electronic structure can be understood in terms of the “diradical character” and “aromaticity” concepts. They display very different electronic properties from traditional closed-shell π-conjugated molecules and could be used as next-generation molecular materials.

This book provides a comprehensive review on the chemistry, physics, and material applications of open-shell singlet diradicaloids. Particularly, it elaborates the fundamental structure–diradical character–electronic property relationships both theoretically and experimentally. The book has been written by leading scientists in the field from Japan, Germany, Spain, Italy, China, and Singapore.

Table of Contents

1. Excitation Energies and Optical Properties of Open-Shell Singlet Diradicaloids  2. Electronic Structure Characterization of Diradicaloids with Spin-Flip (SF) Methods  3. Spectroscopy of Open-Shell Singlet Ground-State Diradicaloids: A Computational Perspective  4. Vibrational Raman Spectroscopy of Diradicaloids: Revealing Their Physical Origin  5. Phenalenyl- and Anthene-Based Diradicaloids  6. Zethrenes and Related Molecules  7. Extended para-Quinodimethanes and Quinones  8. Fused Heteropolycyclic Compounds-Based Diradicaloids  9. Non-Benzenoid Polycyclic Hydrocarbon-Based Diradicaloids  10. Photo-Responsive Diradicaloids  11. Porphyrinoid-Based Diradicaloids  12. Heteroatom (N, P, B, S, etc.) Centered Monoradicals and Diradicals  13. Polyradicaloids and 2D/3D Global Aromaticity 

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Jishan Wu received his BSc degree in chemistry from Wuhan University, China (1997), MSc degree from Changchun Institute of Applied Chemistry, Chinese Academy of Sciences (2000), and PhD degree from the Max-Planck Institute for Polymer Research (2004). He did his postdoc study at the University of California in Los Angeles (2005–2007) and then joined the Department of Chemistry, National University of Singapore as an assistant professor in 2007. He was promoted to full professor in 2017. Prof. Wu’s major interests include novel π-conjugated systems and supramolecular chemistry. He has co-authored 300+ publications, been listed as one of the highly cited researchers from Clarivate Analytics, and has received more than 20 awards after starting his independent career in Singapore, including the latest National Research Foundation Investigatorship (2019).