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Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry: A Practical Guide

Autor Dipak Kumar Mandal
en Limba Engleză Paperback – 7 oct 2025
Molecular orbital (MO) theory, with its associated concepts of conjugation, aromaticity and hyperconjugation (along with the stereoelectronic effects based on frontier orbital approximations as a simplified version of perturbation theory) is an essential, fundamental and foundational topic for all students of organic chemistry and a core focus of interest. Organic chemists therefore frequently need simple and qualitative (yet quantifiable) explanations based on molecular orbital-based reasoning. This book aims to give readers a practical and deeper understanding of long-known concepts in MO theory and demonstrates how to formulate new ones, by simple arguments based on perturbation molecular orbital theory. It is written at a level that is designed to suit everyone from the undergraduate through to graduate and researcher level. Many in-chapter problems are included with detailed worked solutions, reinforcing the main themes in the text and so that students can test their learning immediately while reading through the chapters.

Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry is written primarily for undergraduate and graduate-level students, teachers and researchers of organic chemistry, and to a wider circle of chemists who wish to quickly get acquainted with the important aspects in this field. The approach presented in this book aims to be distinct, practical and is highly pedagogical, tested by the authors teaching experience over decades and written at a level designed to suit everyone from the undergraduate to the research level.

  • Provides clear explanations of the recent concepts and ideas concerning the structure and properties of organic molecules based on molecular orbital theory
  • Outlines the genesis of the stereoelectronic effect from perturbation theory (the Salem-Klopman equation) and the underlying rules of engagement covering ionic, pericyclic, radical and photochemical reactions
  • Includes in-chapter problems with detailed worked solutions to reinforce the main themes in the text
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Specificații

ISBN-13: 9780443332265
ISBN-10: 0443332266
Pagini: 352
Dimensiuni: 152 x 229 mm
Editura: ELSEVIER SCIENCE

Cuprins

1. Atomic and molecular orbitals
2. Acyclic Pi conjugation
3. Frontier orbitals and substituents
4. Cyclic Pi conjugation
5. Möbius Pi systems
6. Hyperconjugation
7. Perturbation theory and stereoelectronic effects
8. Stereoelectronic effects in ionic reactions
9. Stereoelectronic effects in thermal pericyclic reactions
10. Stereoelectronic effects in radical and photochemical reactions