Mathematical Stereochemistry

Shinsaku Fujita

Published by De Gruyter 2015

Mathematical Stereochemistry

Shinsaku Fujita

https://doi.org/10.1515/9783110366693

Overview
Contents

About this book

Mathematical Stereochemistry uses both chemistry and mathematics to present a challenge towards the current theoretical foundations of modern stereochemistry, that up to now suffered from the lack of mathematical formulations and minimal compability with chemoinformatics.
The author develops novel interdisciplinary approaches to group theory (Fujita’s unit-subduced-cycle-index, USCI) and his proligand method before focussing on stereoisograms as a main theme. The concept of RS-stereoisomers functions as a rational theoretical foundation for remedying conceptual faults and misleading terminology caused by conventional application of the theories of van’t Hoff and Le Bel.
This book indicates that classic descriptions on organic and stereochemistry in textbooks should be thoroughly revised in conceptionally deeper levels. The proposed intermediate concept causes a paradigm shift leading to the reconstruction of modern stereochemistry on the basis of mathematical formulations.

• Provides a new theoretical framework for the reorganization of mathematical stereochemistry.

• Covers point-groups and permutation symmetry and exemplifies the concepts using organic molecules and inorganic complexes.

• Theoretical foundations of modern stereochemistry for chemistry students and researchers, as well as mathematicians interested in chemical application of mathematics.

Shinsaku Fujita has been Professor of Information Chemistry and Materials Technology at the Kyoto Institute of Technology from 1997-2007; before starting the Shonan Institute of Chemoinformatics and Mathematical Chemistry as a private laboratory.

• Provides a new theoretical framework for the reorganization of mathematical stereochemistry.

• Covers point-groups and permutation symmetry and exemplifies the concepts using organic molecules and inorganic complexes.

Author / Editor information

Shinsaku Fujita, Kanagawa-ken, Japan.

Topics

Frontmatter Publicly Available Download PDF	i
Preface Requires Authentication Unlicensed Licensed Download PDF	v
About the author Requires Authentication Unlicensed Licensed Download PDF	x
Contents Publicly Available Download PDF	xi
1 Introduction Requires Authentication Unlicensed Licensed Download PDF	1
2 Classification of Isomers Requires Authentication Unlicensed Licensed Download PDF	35
3 Point-Group Symmetry Requires Authentication Unlicensed Licensed Download PDF	53
4 Sphericities of Orbits and Prochirality Requires Authentication Unlicensed Licensed Download PDF	87
5 Foundations of Enumeration Under Point Groups Requires Authentication Unlicensed Licensed Download PDF	115
6 Symmetry-Itemized Enumeration Under Point Groups Requires Authentication Unlicensed Licensed Download PDF	131
7 Gross Enumeration Under Point Groups Requires Authentication Unlicensed Licensed Download PDF	173
8 Enumeration of Alkanes as 3D Structures Requires Authentication Unlicensed Licensed Download PDF	193
9 Permutation-Group Symmetry Requires Authentication Unlicensed Licensed Download PDF	233
10 Stereoisograms and RS-Stereoisomers Requires Authentication Unlicensed Licensed Download PDF	273
11 Stereoisograms for Tetrahedral Derivatives Requires Authentication Unlicensed Licensed Download PDF	313
12 Stereoisograms for Allene Derivatives Requires Authentication Unlicensed Licensed Download PDF	341
13 Stereochemical Nomenclature Requires Authentication Unlicensed Licensed Download PDF	365
14 Pro-RS-Stereogenicity Based on Orbits Requires Authentication Unlicensed Licensed Download PDF	387
15 Perspectives Requires Authentication Unlicensed Licensed Download PDF	405
Index Requires Authentication Unlicensed Licensed Download PDF	415

(Deutsch)

Language: English
Publisher: De Gruyter
Audience: Theoretical Chemists, Organic Chemists, Inorganic Chemists, Pharmaceutical Chemists, Biochemists.
Pages
- Front matter: 18
- Main content: 437
Illustrations
- Illustrations: 250
- Tables: 100
Keywords: Enantiomers; Organic Chemistry; Stereochemistry; Theoretical Chemistry; Computational Chemistry.

eBook

Published: August 17, 2015
ISBN: 9783110366693