LEADER 05176nam 2200649Ia 450 001 9910140807403321 005 20230725024905.0 010 $a1-282-77312-7 010 $a9786612773129 010 $a1-119-95734-6 010 $a1-119-97198-5 010 $a0-470-66975-6 035 $a(CKB)2670000000044471 035 $a(EBL)822587 035 $a(OCoLC)778339395 035 $a(SSID)ssj0000423335 035 $a(PQKBManifestationID)11291587 035 $a(PQKBTitleCode)TC0000423335 035 $a(PQKBWorkID)10440228 035 $a(PQKB)10694026 035 $a(MiAaPQ)EBC822587 035 $a(Au-PeEL)EBL822587 035 $a(CaPaEBR)ebr10412642 035 $a(CaONFJC)MIL277312 035 $a(EXLCZ)992670000000044471 100 $a20100409d2010 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aModels for bonding in chemistry$b[electronic resource] /$fValerio Magnasco 210 $aHoboken $cWiley$d2010 215 $a1 online resource (234 p.) 300 $aDescription based upon print version of record. 311 $a0-470-66703-6 311 $a0-470-66702-8 320 $aIncludes bibliographical references and index. 327 $aModels for Bonding in Chemistry; Contents; Preface; 1 Mathematical Foundations; 1.1 MATRICES AND SYSTEMS OF LINEAR EQUATIONS; 1.2 PROPERTIES OF EIGENVALUES AND EIGENVECTORS; 1.3 VARIATIONAL APPROXIMATIONS; 1.4 ATOMIC UNITS; 1.5 THE ELECTRON DISTRIBUTION IN MOLECULES; 1.6 EXCHANGE-OVERLAP DENSITIES AND THE CHEMICAL BOND; Part 1: Short-range Interactions; 2 The Chemical Bond; 2.1 AN ELEMENTARY MOLECULAR ORBITAL MODEL; 2.2 BOND ENERGIES AND PAULI REPULSIONS IN HOMONUCLEAR DIATOMICS; 2.2.1 The Hydrogen Molecular Ion H+2 (N = 1); 2.2.2 The Hydrogen Molecule H2 (N = 2) 327 $a2.2.3 The Helium Molecular Ion He+2 (N = 3)2.2.4 The Helium Molecule He2 (N = 4); 2.3 MULTIPLE BONDS; 2.3.1 s2p2 Description of the Double Bond; 2.3.2 B 2 1 B 2 2 Bent (or Banana) Description of the Double Bond; 2.3.3 Hybridization Effects; 2.3.4 Triple Bonds; 2.4 THE THREE-CENTRE DOUBLE BOND IN DIBORANE; 2.5 THE HETEROPOLAR BOND; 2.6 STEREOCHEMISTRY OF POLYATOMIC MOLECULES; 2.6.1 The Molecular Orbital Model of Directed Valency; 2.6.2 Analysis of the MO Bond Energy; 2.7 sp-HYBRIDIZATION EFFECTS IN FIRST-ROW HYDRIDES; 2.7.1 The Methane Molecule; 2.7.2 The Hydrogen Fluoride Molecule 327 $a2.7.3 The Water Molecule2.7.4 The Ammonia Molecule; 2.8 DELOCALIZED BONDS; 2.8.1 The Ethylene Molecule; 2.8.2 The Allyl Radical; 2.8.3 The Butadiene Molecule; 2.8.4 The Cyclobutadiene Molecule; 2.8.5 The Benzene Molecule; 2.9 APPENDICES; 2.9.1 The Second Derivative of the H?uckel Energy; 2.9.2 The Set of Three Coulson's Orthogonal Hybrids; 2.9.3 Calculation of Coefficients of Real MOs for Benzene; 3 An Introduction to Bonding in Solids; 3.1 THE LINEAR POLYENE CHAIN; 3.1.1 Butadiene N = 4; 3.2 THE CLOSED POLYENE CHAIN; 3.2.1 Benzene N = 6; 3.3 A MODEL FOR THE ONE-DIMENSIONAL CRYSTAL 327 $a3.4 ELECTRONIC BANDS IN CRYSTALS3.5 INSULATORS, CONDUCTORS, SEMICONDUCTORS AND SUPERCONDUCTORS; 3.6 APPENDIX: THE TRIGONOMETRIC IDENTITY; Part 2: Long-Range Interactions; 4 The van der Waals Bond; 4.1 INTRODUCTION; 4.2 ELEMENTS OF RAYLEIGH-SCHRO?DINGER (RS) PERTURBATION THEORY; 4.3 MOLECULAR INTERACTIONS; 4.3.1 Non-expanded Energy Corrections up to Second Order; 4.3.2 Expanded Energy Corrections up to Second Order; 4.4 THE TWO-STATE MODEL OF LONG-RANGE INTERACTIONS; 4.5 THE van der WAALS INTERACTIONS; 4.5.1 Atom-Atom Dispersion; 4.5.2 Atom-Linear Molecule Dispersion 327 $a4.5.3 Atom-Linear Dipolar Molecule10 Induction4.6 THE C6 DISPERSIONCOEFFICIENT FOR THE H-H INTERACTION; 4.7 THE van der WAALS BOND; 4.8 THE KEESOM INTERACTION; 5 The Hydrogen Bond; 5.1 A MOLECULAR ORBITAL MODEL OF THE HYDROGEN BOND; 5.2 ELECTROSTATIC INTERACTIONS AND THE HYDROGEN BOND; 5.2.1 The Hydrogen Fluoride Dimer (HF)2; 5.2.2 The Water Dimer (H2O)2; 5.3 THE ELECTROSTATIC MODEL OF THE HYDROGEN BOND; 5.4 THE Rg-HF HETERODIMERS; References; Author Index; Subject Index 330 $aA readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry. Starting with a short, self-contained,introduction, Chapter 1 presents the essential elements of the variation approach to either total or second-order molecular energies, the system of atomic units (au) necessary to simplify all mathematical expressions, and an introductory description of the electron distribution in molecules. Using mostly 2x2 Hu?ckel secular equations, Chapter 2, by far the largest part of the book because of the many implicat 606 $aChemical bonds 606 $aMolecular structure$xMathematical models 615 0$aChemical bonds. 615 0$aMolecular structure$xMathematical models. 676 $a541/.224 700 $aMagnasco$b Valerio$0446165 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910140807403321 996 $aModels for bonding in chemistry$92044461 997 $aUNINA