The Chemical Bond

A unique overview of the different kinds of chemical bonds that can be found in the periodic table, from the main-group elements to transition elements, lanthanides and actinides. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers. This is the perfect complement to "e;Chemical Bonding - Fundamentals and Models"e; by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community.

A unique overview of the different kinds of chemical bonds that can be found in the periodic table, from the main-group elements to transition elements, lanthanides and actinides.It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers.This is the perfect complement to "Chemical Bonding - Fundamentals and Models" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community.

PrefaceCHEMICAL BONDING OF MAIN-GROUP ELEMENTSIntroduction and DefinitionsThe Lack of Radial Nodes of the 2p Shell Accounts for Most of the Peculiarities of the Chemistry of the 2p-ElementsThe Role of the Outer d-Orbitals in BondingSecondary Periodicities: Incomplete-Screening and Relativistic Effects"Honorary d-Elements": the Peculiarities of Structure and Bonding of the Heavy Group 2 ElementsConcluding RemarksMULTIPLE BONDING OF HEAVY MAIN-GROUP ATOMSIntroductionBonding Analysis of Diatomic Molecules E2 (E = N - Bi)Comparative Bonding Analysis of N2 and P2 with N4 and P4Bonding Analysis of the Tetrylynes HEEH (E = C - Pb)Explaining the Different Structures of the Tetrylynes HEEH (E = C - Pb)Energy Decomposition Analysis of the Tetrylynes HEEH (E = C - Pb)ConclusionTHE ROLE OF RECOUPLED PAIR BONDING IN HYPERVALENT MOLECULESIntroductionMultireference Wavefunction Treatment of BondingLow-Lying States of SF and OFLow-Lying States of SF2 and OF2 (and Beyond)Comparison to Other ModelsConcluding RemarksDONOR-ACCEPTOR COMPLEXES OF MAIN-GROUP ELEMENTSIntroductionSingle-Center Complexes EL2Two-Center Complexes E2L2Summary and ConclusionELECTRON-COUNTING RULES IN CLUSTER BONDING - POLYHEDRAL BORANES, ELEMENTAL BORON, AND BORON-RICH SOLIDSIntroductionWade's RuleLocalized Bonding Schemes for Bonding in Polyhedral Boranes4n + 2 Interstitial Electron Rule and Ring-Cap Orbital Overlap CompatibilityCapping PrincipleElectronic Requirement of Condensed Polyhedral Boranes - mno RuleFactors Affecting the Stability of Condensed Polyhedral ClustersHypoelectronic MetallaboranesElectronic Structure of Elemental Boron and Boron-Rich Metal Borides - Application of Electron-Counting RulesConclusionBOUND TRIPLET PAIRS IN THE HIGHEST SPIN STATES OF MONOVALENT METAL CLUSTERSIntroductionCan Triplet Pairs Be Bonded?Origins of NPFM Bonding in n+1Lin ClustersGeneralization of NPFM Bonding in n+1Lin ClustersNPFM Bonding in Coinage Metal ClustersValence Bond Modeling of the Bonding in NPFM Clusters of the Coinage MetalsNPFM Bonding: Resonating Bound Triplet PairsConcluding Remarks: Bound Triplet PairsAppendixCHEMICAL BONDING IN TRANSITION METAL COMPOUNDSIntroductionValence Orbitals and Hybridization in Electron-Sharing Bonds of Transition MetalsCarbonyl Complexes TM(CO)6q (TMq = Hf2-, Ta-, W, Re+, Os2+, Ir3+)Phosphane Complexes (CO)5TM-PR3 and N-Heterocyclic Carbene Complexes (CO)5TM-NHC (TM = Cr, Mo, W)Ethylene and Acetylene Complexes (CO)5TM-C2Hn and Cl4TM-C2Hn (TM = Cr, Mo, W)Group-13 Diyl Complexes (CO)4Fe-ER ( E = B - Tl; R = Ph, Cp)Ferrocene Fe(n5-Cp)2 and Bis(benzene)chromium Cr(n6-Bz)2Cluster, Complex, or Electron-Sharing Compound? Chemical Bonding in Mo(Eh)12 and Pd(EH)8 (E = Zn, Cd, Hg)Metal-Metal Multiple BondingSummaryCHEMICAL BONDING IN OPEN-SHELL TRANSITION-METAL COMPLEXESIntroductionTheoretical FoundationsQualitative InterpretationSpin Density Distributions - A Case StudySummaryMODELING METAL-METAL MULTIPLE BONDS WITH MULTIREFERENCE QUANTUM CHEMICAL METHODSIntroductionMultireferance Methods and Effective Bond OrdersThe Multiple Bond in Re2Cl8 2Homonuclear Diatomic Molecules: Cr2, Mo2, and W2Cr2, Mo2, and W2 Containing ComplexesFe2 ComplexesConcluding RemarksTHE QUANTUM CHEMISTRY OF TRANSITION METAL SURFACE BONDING AND REACTIVITYIntroductionThe Elementary Quantum-Chemical Model of the Surface Chemical BondQuantum Chemistry of the Surface Chemical BondMetal Particle Composition and Size DependenceLateral Interactions; ReconstructionAdsorbate Bond Activation and FormationTransition State Analysis: A SummaryCHEMICAL BONDING OF LANTHANIDES AND ACTINIDESIntroductionTechnical IssuesThe Energy Decomposition Approach to the Bonding in f Block Compoundsf Block Applications of the Electron Localization FunctionDoes Covalency Increase or Decrease across the Actinide Series?Multi-configurational Descriptions of Bonding in f Element ComplexesConcluding Remark