{"product_id":"basic-concepts-of-orbital-theory-in-organic-chemistry-isbn-9781394253845","title":"Basic Concepts of Orbital Theory in Organic Chemistry","description":"\u003cp\u003e\u003cb\u003eIncrease your understanding of molecular properties and reactions with this accessible textbook\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003eThe study of organic chemistry hinges on an understanding and capacity to predict molecular properties and reactions. Molecular Orbital Theory is a model grounded in quantum mechanics deployed by chemists to describe electron organization within a chemical structure. It unlocks some of the most prevalent reactions in organic chemistry. \u003c\/p\u003e\u003cp\u003e\u003ci\u003eBasic Concepts of Orbital Theory in Organic Chemistry\u003c\/i\u003e provides a concise, accessible overview of this theory and its applications. Beginning with fundamental concepts such as the shape and relative energy of atomic orbitals, it proceeds to describe the way these orbitals combine to form molecular orbitals, with important ramifications for molecular properties. The result is a work which helps students and readers move beyond localized bonding models and achieve a greater understanding of organic chemical interactions. \u003c\/p\u003e\u003cp\u003eIn \u003ci\u003eBasic Concepts of Orbital Theory in Organic Chemistry\u003c\/i\u003e readers will also find: \u003c\/p\u003e\u003cul\u003e\n\u003cli\u003eComprehensive explorations of stereoelectronic interactions and sigmatropic, cheletropic, and electrocyclic reactions,\u003c\/li\u003e\n\u003cli\u003eDetailed discussions of hybrid orbitals, bond formation in atomic orbitals, the Hückel Molecular Orbital Method, and the conservation of molecular orbital symmetry\u003c\/li\u003e\n\u003cli\u003eSample exercises for organic chemistry students to help reinforce and retain essential concepts\u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003e\u003ci\u003eBasic Concepts of Orbital Theory in Organic Chemistry\u003c\/i\u003e is ideal for advanced undergraduate and graduate students in chemistry, particularly organic chemistry. \u003c\/p\u003e\u003cp\u003ePreface ix\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 1 Introduction and History of the Molecular Orbital Theory 1\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 1\u003c\/p\u003e \u003cp\u003eNature of Electromagnetic Radiation 2\u003c\/p\u003e \u003cp\u003eThe Wave Nature of Light 3\u003c\/p\u003e \u003cp\u003eElectromagnetic Spectrum 5\u003c\/p\u003e \u003cp\u003eThe Distinction Between Energy and Matter 6\u003c\/p\u003e \u003cp\u003eThe Particle Nature of Light 7\u003c\/p\u003e \u003cp\u003eMass and Momentum Associated with a Light Quantum 11\u003c\/p\u003e \u003cp\u003eWave-Particle Duality 13\u003c\/p\u003e \u003cp\u003eApplication of Quantum Mechanics to Atomic Structure 14\u003c\/p\u003e \u003cp\u003eSchrödinger’s Equation 19\u003c\/p\u003e \u003cp\u003eHydrogenic Orbitals 23\u003c\/p\u003e \u003cp\u003eWhy Doesn’t the Electron Fall into the Nucleus? Bohr’s Legacy and the Quantum Mechanical Model 32\u003c\/p\u003e \u003cp\u003eFurther Reading 33\u003c\/p\u003e \u003cp\u003eExercises 34\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 2 Hybrid Orbitals 35\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 35\u003c\/p\u003e \u003cp\u003eHybridisation Theory 37\u003c\/p\u003e \u003cp\u003eWavefunctions Associated with Hybrid Orbitals 42\u003c\/p\u003e \u003cp\u003eProcedure to Build a Hybrid Orbital 43\u003c\/p\u003e \u003cp\u003eOrthogonality of Wave Functions (Orbitals) 44\u003c\/p\u003e \u003cp\u003eThe Bent Bond or Tau Model 45\u003c\/p\u003e \u003cp\u003eEffects of Hybridisation 45\u003c\/p\u003e \u003cp\u003eFurther Reading 51\u003c\/p\u003e \u003cp\u003eExercises 51\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 3 Bond Formation from Atomic Orbitals 53\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 53\u003c\/p\u003e \u003cp\u003eMixing of s Orbitals 53\u003c\/p\u003e \u003cp\u003eMixing of p Orbitals 58\u003c\/p\u003e \u003cp\u003eFactors Affecting the Magnitude of Orbital Interactions 60\u003c\/p\u003e \u003cp\u003eBonding in Homo-Diatomic Molecules 62\u003c\/p\u003e \u003cp\u003eBonding in Hetero-Diatomic Molecules 68\u003c\/p\u003e \u003cp\u003eBonding in Triatomic Molecules 72\u003c\/p\u003e \u003cp\u003eConjugated Systems 84\u003c\/p\u003e \u003cp\u003eFurther Reading 84\u003c\/p\u003e \u003cp\u003eExercises 84\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 4 The Hückel Molecular Orbital Method (HMO) 85\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eThe Linear Combination of Atomic Orbitals (LCAO) Method 85\u003c\/p\u003e \u003cp\u003eThe Hückel Molecular Orbital (HMO) Method 86\u003c\/p\u003e \u003cp\u003eSimplified Procedure for the Application of Hückel´s Method 91\u003c\/p\u003e \u003cp\u003eApplication of Hückel´s Method: Several Examples 92\u003c\/p\u003e \u003cp\u003eApplication to Larger Molecules 96\u003c\/p\u003e \u003cp\u003eScope and Limitations of the Hückel Molecular Orbital Method 97\u003c\/p\u003e \u003cp\u003eHückel Molecular Orbital Method in Cyclic ​π​-Systems 97\u003c\/p\u003e \u003cp\u003eEnergy Diagrams for Acyclic Polyenes 101\u003c\/p\u003e \u003cp\u003e​π​-Systems Containing Heteroatoms 102\u003c\/p\u003e \u003cp\u003eInclusion of Overlap Between Vicinal Atoms 106\u003c\/p\u003e \u003cp\u003eThe Shape of the Molecular Orbitals 108\u003c\/p\u003e \u003cp\u003eContribution of the AOs in a Molecular Orbital 108\u003c\/p\u003e \u003cp\u003eSymmetry Simplifications in Alternant Hydrocarbons 112\u003c\/p\u003e \u003cp\u003eEstimation of MO Energies and Coefficients 115\u003c\/p\u003e \u003cp\u003eBond Orders ​(​P​ ij )​ 116\u003c\/p\u003e \u003cp\u003eCharge Distribution (​q​ I ) 118\u003c\/p\u003e \u003cp\u003eIndex of Free Valence (​f​ I ) 119\u003c\/p\u003e \u003cp\u003eFurther Reading 120\u003c\/p\u003e \u003cp\u003eExercises 121\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 5 Interactions Between Molecular Orbitals: Chemical Reactions 123\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 123\u003c\/p\u003e \u003cp\u003eMolecular Orbital Theory of Selected Organic Reactions 127\u003c\/p\u003e \u003cp\u003eSummary 140\u003c\/p\u003e \u003cp\u003eFurther Reading 141\u003c\/p\u003e \u003cp\u003eExercises 141\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 6 Some Applications of Orbital Theory in Organic\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eChemistry 143\u003c\/p\u003e \u003cp\u003eIntroduction 143\u003c\/p\u003e \u003cp\u003eUltraviolet Spectroscopy 143\u003c\/p\u003e \u003cp\u003eIonisation Potentials 146\u003c\/p\u003e \u003cp\u003ePhotoelectron Spectroscopy (PES) 147\u003c\/p\u003e \u003cp\u003eInteractions Between ​π​ Orbitals 148\u003c\/p\u003e \u003cp\u003eInteractions Between n-Orbitals 151\u003c\/p\u003e \u003cp\u003eElectron Spectroscopy for Chemical Analysis (ESCA) Spectroscopy 155\u003c\/p\u003e \u003cp\u003eCharge Transfer Complexes (EDA Complexes) 155\u003c\/p\u003e \u003cp\u003eFurther Reading 156\u003c\/p\u003e \u003cp\u003eExercises 157\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 7 Conservation of Molecular Orbital\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eSymmetry: Introduction to Pericyclic\u003c\/p\u003e \u003cp\u003eReactions – Cycloaddition Reactions 159\u003c\/p\u003e \u003cp\u003eIntroduction 159\u003c\/p\u003e \u003cp\u003eConcerted Reactions 160\u003c\/p\u003e \u003cp\u003ePericyclic Reactions 161\u003c\/p\u003e \u003cp\u003ePrinciples of the Conservation of Orbital Symmetry 164\u003c\/p\u003e \u003cp\u003eSymmetry Correlation Diagrams of Molecular Orbitals 164\u003c\/p\u003e \u003cp\u003eAnalysis of the Symmetry of the HOMO\/LUMO Frontier Orbitals (FMO) 168\u003c\/p\u003e \u003cp\u003eAnalysis of the Nodal Properties at the Transition State of a Cyclisation Reaction 169\u003c\/p\u003e \u003cp\u003eCycloaddition Reactions 172\u003c\/p\u003e \u003cp\u003e1,3-Butadiene + Ethylene ​⇌​ Cyclohexene 173\u003c\/p\u003e \u003cp\u003eTwo Ethylene Molecules ​⇌​ Cyclobutane 175\u003c\/p\u003e \u003cp\u003eSupra- or Antarafacial Topicity in Cycloaddition Reactions 179\u003c\/p\u003e \u003cp\u003eEffect of Secondary Interactions Between Molecular Orbitals 180\u003c\/p\u003e \u003cp\u003eFurther Reading 182\u003c\/p\u003e \u003cp\u003eExercises 182\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 8 Cheletropic Reactions 185\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 185\u003c\/p\u003e \u003cp\u003e[2 + 2] Cheletropic Reactions 186\u003c\/p\u003e \u003cp\u003e[4 + 2] Cheletropic Reactions 190\u003c\/p\u003e \u003cp\u003e[6 + 2] Cheletropic Reactions 194\u003c\/p\u003e \u003cp\u003eFurther Reading 196\u003c\/p\u003e \u003cp\u003eExercises 196\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 9 Electrocyclic Reactions 199\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 199\u003c\/p\u003e \u003cp\u003e1,3-Butadiene ​⇋​ Cyclobutene 201\u003c\/p\u003e \u003cp\u003e1,3,5-Hexatriene ​⇋​ 1,3-Cyclohexadiene 204\u003c\/p\u003e \u003cp\u003ePhotochemical Electrocyclic Reactions 207\u003c\/p\u003e \u003cp\u003eFurther Reading 210\u003c\/p\u003e \u003cp\u003eExercises 210\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 10 Sigmatropic Reactions 213\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 213\u003c\/p\u003e \u003cp\u003e[3,3] Sigmatropic Rearrangements 216\u003c\/p\u003e \u003cp\u003e[1,3] Sigmatropic Rearrangements of Alkyl Groups 218\u003c\/p\u003e \u003cp\u003eAnalysis of Nodal Properties in the Transition State 221\u003c\/p\u003e \u003cp\u003e[1,5] Sigmatropic Rearrangements of Alkyl Groups 221\u003c\/p\u003e \u003cp\u003e[1,2] Sigmatropic Rearrangements of Alkyl Groups 225\u003c\/p\u003e \u003cp\u003e[1,3] Sigmatropic Rearrangements of Hydrogen 227\u003c\/p\u003e \u003cp\u003e[1,5] Sigmatropic Rearrangements of Hydrogen 228\u003c\/p\u003e \u003cp\u003eFurther Reading 231\u003c\/p\u003e \u003cp\u003eExercises 232\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 11 1,3-Dipolar Cycloadditions 235\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 235\u003c\/p\u003e \u003cp\u003eClassification of 1,3-Dipolar Reactants 235\u003c\/p\u003e \u003cp\u003eFrontier Molecular Orbital Analysis 236\u003c\/p\u003e \u003cp\u003eAnalysis of Nodal Properties in the Transition State 238\u003c\/p\u003e \u003cp\u003eTypes of 1,3-DPCA Reactions and Regioselectivity 239\u003c\/p\u003e \u003cp\u003e1,3-DPCA Reactions with Diazoalkanes 242\u003c\/p\u003e \u003cp\u003e1,3-DPCA Reactions with Nitrones 243\u003c\/p\u003e \u003cp\u003e1,3-DPCA Reactions with Azomethine Ylides as the\u003c\/p\u003e \u003cp\u003e1,3-Dipolar Reactant 245\u003c\/p\u003e \u003cp\u003e1,3-DPCA Reactions with Nitrile Oxides as 1,3-Dipolar Reactants 247\u003c\/p\u003e \u003cp\u003e1,3-DPCA Reactions with Azides, Osmium Tetroxide and\u003c\/p\u003e \u003cp\u003eOzone 248\u003c\/p\u003e \u003cp\u003eFurther Reading 251\u003c\/p\u003e \u003cp\u003eExercises 251\u003c\/p\u003e \u003cp\u003e\u003cb\u003eChapter 12 Stereoelectronic Interactions 255\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eIntroduction 255\u003c\/p\u003e \u003cp\u003eInterpretation of the anomeric effect 258\u003c\/p\u003e \u003cp\u003eStereoelectronic interactions in S-C-P segments 261\u003c\/p\u003e \u003cp\u003eFurther Reading 266\u003c\/p\u003e \u003cp\u003eExercises 267\u003c\/p\u003e \u003cp\u003eIndex 269\u003c\/p\u003e  \u003cp\u003e\u003cb\u003eEusebio Juaristi, PhD,\u003c\/b\u003e is Professor at Centro de Investigacion de Estudios Avanzados del Instituto Politecnico Nacional, Mexico City, Mexico.He has produced influential research in numerous areas of physical organic chemistry, particularly conformational analysis and stereochemistry, as well as computational chemistry, asymmetric organocatalysis, and sustainable chemistry. \u003c\/p\u003e\u003cp\u003e\u003cb\u003eC. Gabriela Ávila-Ortiz, PhD,\u003c\/b\u003e is a Research Assistant at Centro de Investigacion de Estudios Avanzados del Instituto Politecnico Nacional, Mexico City, Mexico. She works in Professor Juaristi’s research group studying the asymmetric synthesis of organic compounds, organocatalysis, and green chemistry. \u003c\/p\u003e\u003cp\u003e\u003cb\u003eAlberto Vega-Peñaloza, PhD,\u003c\/b\u003e is Serra Hunter Lecturer in the Section of Organic Chemistry at the University of Barcelona, Spain. He has worked as Senior Scientist I at Selvita S.A., Poland, as a postdoctoral fellow at the Faculty of Chemistry of the National Autonomous University of Mexico (UNAM), as a postdoctoral researcher at ICIQ in Spain, and at the University of Padova, Italy, where he was awarded the Seal of Excellence UniPD grant to work on the development of photocatalytic systems for sustainable synthetic methods.   \u003c\/p\u003e\u003cp\u003e\u003cb\u003eIncrease your understanding of molecular properties and reactions with this accessible textbook\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003eThe study of organic chemistry hinges on an understanding and capacity to predict molecular properties and reactions. Molecular Orbital Theory is a model grounded in quantum mechanics deployed by chemists to describe electron organization within a chemical structure. It unlocks some of the most prevalent reactions in organic chemistry. \u003c\/p\u003e\u003cp\u003e\u003ci\u003eBasic Concepts of Orbital Theory in Organic Chemistry\u003c\/i\u003e provides a concise, accessible overview of this theory and its applications. Beginning with fundamental concepts such as the shape and relative energy of atomic orbitals, it proceeds to describe the way these orbitals combine to form molecular orbitals, with important ramifications for molecular properties. The result is a work which helps students and readers move beyond localized bonding models and achieve a greater understanding of organic chemical interactions. \u003c\/p\u003e\u003cp\u003eIn \u003ci\u003eBasic Concepts of Orbital Theory in Organic Chemistry\u003c\/i\u003e readers will also find: \u003c\/p\u003e\u003cul\u003e\n\u003cli\u003eComprehensive explorations of stereoelectronic interactions and sigmatropic, cheletropic, and electrocyclic reactions,\u003c\/li\u003e\n\u003cli\u003eDetailed discussions of hybrid orbitals, bond formation in atomic orbitals, the Hückel Molecular Orbital Method, and the conservation of molecular orbital symmetry\u003c\/li\u003e\n\u003cli\u003eSample exercises for organic chemistry students to help reinforce and retain essential concepts\u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003e\u003ci\u003eBasic Concepts of Orbital Theory in Organic Chemistry\u003c\/i\u003e is ideal for advanced undergraduate and graduate students in chemistry, particularly organic chemistry.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47988789543141,"sku":"NP9781394253845","price":50.0,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9781394253845.jpg?v=1761781598","url":"https:\/\/k12savings.com\/es\/products\/basic-concepts-of-orbital-theory-in-organic-chemistry-isbn-9781394253845","provider":"K12savings","version":"1.0","type":"link"}