Basic Concepts of Orbital Theory in Organic Chemistry

1. Auflage 2025
ISBN: 978-1-394-25384-5
Verlag: John Wiley & Sons Inc

Buch, Englisch, 304 Seiten

Increase your understanding of molecular properties and reactions with this accessible textbook
The study of organic chemistry hinges on an understanding and capacity to predict molecular properties and reactions. Molecular Orbital Theory is a model grounded in quantum mechanics deployed by chemists to describe electron organization within a chemical structure. It unlocks some of the most prevalent reactions in organic chemistry.
Basic Concepts of Orbital Theory in Organic Chemistry provides a concise, accessible overview of this theory and its applications. Beginning with fundamental concepts such as the shape and relative energy of atomic orbitals, it proceeds to describe the way these orbitals combine to form molecular orbitals, with important ramifications for molecular properties. The result is a work which helps students and readers move beyond localized bonding models and achieve a greater understanding of organic chemical interactions.
In Basic Concepts of Orbital Theory in Organic Chemistry readers will also find: - Comprehensive explorations of stereoelectronic interactions and sigmatropic, cheletropic, and electrocyclic reactions,
- Detailed discussions of hybrid orbitals, bond formation in atomic orbitals, the Hückel Molecular Orbital Method, and the conservation of molecular orbital symmetry
- Sample exercises for organic chemistry students to help reinforce and retain essential concepts

Basic Concepts of Orbital Theory in Organic Chemistry is ideal for advanced undergraduate and graduate students in chemistry, particularly organic chemistry.

Autoren/Hrsg.

Vega-Penaloza, Alberto

Juaristi, Eusebio

Avila-Ortiz, C. Gabriela

Fachgebiete

• Naturwissenschaften Chemie Physikalische Chemie
• Naturwissenschaften Chemie Anorganische Chemie
• Naturwissenschaften Chemie Organische Chemie

Inhaltsverzeichnis

Chapter 1: Introduction and History of Molecular Orbital Theory.

Introduction.

Nature of electromagnetic radiation.

The wave nature of light.

Electromagnetic spectrum.

The distinction between energy and matter.

The particle nature of light

Mass and momentum associated with a light quantum

Wave–particle duality

Application of quantum mechanics to the atomic structure

Schrödinger's equation

Hydrogenic orbitals

Why doesn't the electron fall into the nucleus?

Bohr's legacy and the quantum mechanical model.

Bibliography

Exercises

Chapter 2. Hybrid Orbitals

Introduction

Hybridisation theory

Wavefunctions associated to hybrid orbitals.

Procedure to build a hybrid orbital.

Orthogonality of wave functions (orbitals)

The bent bond or tau model

Effects of hybridisation

Bibliography

Exercises

Chapter 3. Bond Formation from Atomic Orbitals

Introduction

Mixing of s orbitals.

Mixing of p orbitals.

Factors affecting the magnitude of orbital interactions.

Bonding in homo-diatomic molecules.

Bonding in hetero-diatomic molecules.

Bonding in triatomic molecules.

Conjugated systems.

Bibliography

Exercises

Chapter 4. The Hückel Molecular Orbital Method (HMO)

Simplified procedure for the application of Hückel´s method.

Application of Hückel´s method: several examples.

Application to larger molecules

Scope and limitations of the HMO method.

HMO in cyclic p-systems

Energy diagrams for acyclic polyenes

p-Systems containing heteroatoms.

The shape of the molecular orbitals.

Contribution of the atomic orbitals in a molecular orbital.

Symmetry simplifications in alternant hydrocarbons (AH)

Estimation of MO energies and coefficients

Bond orders (

Über Autor(innen)

Eusebio Juaristi, PhD, is Professor at Centro de Investigacion de Estudios Avanzados del Instituto Politecnico Nacional, Mexico City, Mexico.He has produced influential research in numerous areas of physical organic chemistry, particularly conformational analysis and stereochemistry, as well as computational chemistry, asymmetric organocatalysis, and sustainable chemistry.
C. Gabriela Ávila-Ortiz, PhD, is a Research Assistant at Centro de Investigacion de Estudios Avanzados del Instituto Politecnico Nacional, Mexico City, Mexico. She works in Professor Juaristi's research group studying the asymmetric synthesis of organic compounds, organocatalysis, and green chemistry.
Alberto Vega-Peñaloza, PhD, is Serra Hunter Lecturer in the Section of Organic Chemistry at the University of Barcelona, Spain. He has worked as Senior Scientist I at Selvita S.A., Poland, as a postdoctoral fellow at the Faculty of Chemistry of the National Autonomous University of Mexico (UNAM), as a postdoctoral researcher at ICIQ in Spain, and at the University of Padova, Italy, where he was awarded the Seal of Excellence UniPD grant to work on the development of photocatalytic systems for sustainable synthetic methods.