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.
Sprache
Verlagsort
Zielgruppe
Für Beruf und Forschung
US School Grade: College Graduate Student
Illustrationen
250
100 s/w Tabellen, 250 s/w Abbildungen
250 b/w ill., 100 b/w tbl.
Maße
Gewicht
ISBN-13
978-3-11-037197-0 (9783110371970)
Schweitzer Klassifikation
Shinsaku Fujita, Kanagawa-ken, Japan.
From the Content: Introduction:Graphs and 3D StructuresStructural Formulas and 3D Structural FormulasIsomers and Stereoisomers 3D Structures and Proligand-Promolecule Model:Constitutions, Configurations and ConformationsSkeletons for Graphs(Stereo)skeletons for 3D structuresLigands and ProligandsMolecules and PromoleculesReflections vs. Permutations Point-Group Symmetry:Point GroupsGroups and SubgroupsRelational Terms and Attributive TermsChirality and Enantiomeric RelationshipsGlobal Symmetries and Local SymmetriesCoset Representations and OrbitsSphericities RS-Permutation-Group SymmetryPermutation GroupsStereogenicity and Diastereomeric RelationshipsRS-Permutation GroupsRelational Terms and Attributive TermsRS-Stereogenicity and RS-Diastereomeric RelationshipsGlobal Symmetries and Local SymmetriesTropicities Stereoisogram Approachof (Self-)Enantiomers and Stereogenicity:Quadruplets of RS-Stereoiomers and RS-StereogenicityStereoisograms of Five TypesRS-Stereoisomeric GroupsRS-Stereoisomerism and Stereoisomerism Chapter 5 Enumeration of Chemical CompoundsPolya's Enumeration of GraphsFujita's Proligand Method for Enumerating 3D StructuresSymmetry-Itemized Enumeration (the USCI approach)Enumeration of Chemical Compounds as RS-Stereoisomers Monosubstituted Alkanes and Alkanes:Asymmetric and Pseudoasymmetric CarbonsMonosubstituted AlkanesAlkanes Mathematical Foundations of Stereochemical Nomenclatures:Chirality, RS-Stereogenicity, and ScleralityMathematical Foundations of Cahn-Ingold-Prelog (CIP) SystemProchirality vs. Pro-RS-StereogenicityMathematical Foundations of Pro-R/Pro-S-Descriptors Applications:EthylenesBiphenylsCyclohexanesAllenesAdamantanesCubanesFullerenesPrismanesSquare ComplexesTrigonal Pyramidal ComplexesOctahedral ComplexesFerrocenes
