Introductory Organic Chemistry and Hydrocarbons: A Physical Chemistry Approach / Edition 1

by Caio Lima Firme

Overview

A novel proposal for teaching organic chemistry based on a broader and simplified use of quantum chemistry theories and notions of some statistical thermodynamic concepts aiming to enrich the learning process of the organic molecular properties and organic reactions. A detailed physical chemistry approach to teach organic chemistry for undergraduate students is the main aim of this book. A secondary objective is to familiarize undergraduate students with computational chemistry since most of illustrations of optimized geometries (plus some topological graphs) and information is from quantum chemistry outputs which will also enable students to obtain a deeper understanding of organic chemistry.

Product Details

ISBN-13:	9780815383574
Publisher:	CRC Press
Publication date:	09/05/2019
Pages:	458
Product dimensions:	6.12(w) x 9.19(h) x (d)

About the Author

The author is a graduate of chemistry (UFRuralRJ), MSc in Polymer Science and PhD in Physical Organic Chemistry at Federal University of Rio de Janeiro (UFRJ). Since 2009, he is professor of organic chemistry at Federal University of Rio Grande do Norte (UFRN). He has one patent, three books and 33 papers to his credit. His primary research is on theoretical chemistry to investigate chemical bonds, aromaticity, intermolecular interactions and mechanisms of organic chemistry reactions.

Table of Contents

TABLE OF CONTENTS

Notions of Quantum Mechanics and Wave Function
Molecular Orbital, Valence Bond, Atoms in Molecules and Non-Covalent Interaction Theories and Their Applications in Organic Chemistry
Quantum Mechanics and Electrostatic Force in Molecules
Notions of Thermodynamics, Molecular Energy and Use of Theoretical Thermodynamic Data
Quantum Mechanics and Periodic Table
Quantum Mechanical Resonance, Chemical Bond and Hybridization
Electron Delocalization, Resonance Types and Resonance Theory
Quantum Chemistry of Potential Energy Surface (geometric parameters, energy derivatives, optimized geometries and transition states)
Representations of Organic Molecules, Atomic Charge and Formal Charge
Kinetics and Mechanism: Notions and The Quantum Statistical Influence
Intermolecular Interactions
Carbocations
Isomerism
Alkanes (nomenclature, properties and reactions)
Cycloalkanes, Bicyclic and Caged Hydrocarbons
Alkenes (nomenclature and properties)
Alkenes (reactions)
Alkynes (properties and reaction)
Aromaticity and Aromatic Compounds
Substituent Groups and Electrophilic Aromatic Substitution
Appendix