Chapter 8: Molecules and molecular crystals (G. Gilli and P. Gilli); INDEX: 8.1 Chemistry and X-ray crystallography 592; 8.1.1 Crystal and molecular structure 592; 8.1.2 The growth of structural information 594; 8.2 The nature of molecular crystals 595; 8.2.1 Intermolecular forces 595; 8.2.2 Thermodynamics of molecular crystals 616; 8.2.3 Free and lattice energy of a crystal from atom–atom potentials 619; 8.2.4 Polymorphism 622; 8.2.5 The prediction of crystal structures 623; 8.3 Elements of classical stereochemistry 627; 8.3.1 Structure: constitution, configuration, and conformation 627; 8.3.2 Isomerism 629; 8.3.3 Ring conformations 634; 8.4 Molecular structure and chemical bond 642; 8.4.1 Introduction 642; 8.4.2 Quantum-mechanical methods 643; 8.4.3 Qualitative bonding theories 645; 8.4.4 The VSEPR theory 647; 8.4.5 The VB theory 649; 8.4.6 Molecular mechanics (MM) 651; 8.4.7 Molecular mechanics, force fields, and molecular simulation (MS) 654 ; 8.5 Molecular hermeneutics: the interpretation of molecular structures 657; 8.5.1 Correlation methods in structural analysis 657; 8.5.2 Some three-centre–four-electron linear systems 659; 8.5.3 Nucleophilic addition to organometallic compound 661; 8.5.4 Nucleophilic addition to the carbonyl group 662; 8.5.5 Conformational rearrangements by structure-correlation methods 664; 8.5.6 Evidence for resonance-assisted H-bond (RAHB) by structure-correlation methods 669; References 673
Molecules and Molecular Crystals
GILLI, Gastone;GILLI, Paola
2011
Abstract
Chapter 8: Molecules and molecular crystals (G. Gilli and P. Gilli); INDEX: 8.1 Chemistry and X-ray crystallography 592; 8.1.1 Crystal and molecular structure 592; 8.1.2 The growth of structural information 594; 8.2 The nature of molecular crystals 595; 8.2.1 Intermolecular forces 595; 8.2.2 Thermodynamics of molecular crystals 616; 8.2.3 Free and lattice energy of a crystal from atom–atom potentials 619; 8.2.4 Polymorphism 622; 8.2.5 The prediction of crystal structures 623; 8.3 Elements of classical stereochemistry 627; 8.3.1 Structure: constitution, configuration, and conformation 627; 8.3.2 Isomerism 629; 8.3.3 Ring conformations 634; 8.4 Molecular structure and chemical bond 642; 8.4.1 Introduction 642; 8.4.2 Quantum-mechanical methods 643; 8.4.3 Qualitative bonding theories 645; 8.4.4 The VSEPR theory 647; 8.4.5 The VB theory 649; 8.4.6 Molecular mechanics (MM) 651; 8.4.7 Molecular mechanics, force fields, and molecular simulation (MS) 654 ; 8.5 Molecular hermeneutics: the interpretation of molecular structures 657; 8.5.1 Correlation methods in structural analysis 657; 8.5.2 Some three-centre–four-electron linear systems 659; 8.5.3 Nucleophilic addition to organometallic compound 661; 8.5.4 Nucleophilic addition to the carbonyl group 662; 8.5.5 Conformational rearrangements by structure-correlation methods 664; 8.5.6 Evidence for resonance-assisted H-bond (RAHB) by structure-correlation methods 669; References 673I documenti in SFERA sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
