Autore	Loizides Constantin A.
Pubbl/distr/stampa	Stuttgart : , : Ibidem Verlag, , 2012
Descrizione fisica	1 online resource (200 pages)
Disciplina	547.128
Soggetto topico	Fragmentation reactions
ISBN	3-8382-5561-5
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	ger
Record Nr.	UNINA-9910793794703321

Autore	Oki, Michinori, 1928-
Pubbl/distr/stampa	Deerfield Beach : VCH, c1985
Descrizione fisica	xii, 423 p. : ill. ; 25 cm
Disciplina	547.128
Collana	Methods in stereochemical analysis ; 4
Soggetto topico	Nuclear magnetic resonance spectroscopy Chemistry, Organic
ISBN	0895731207
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Record Nr.	UNISALENTO-991004014439707536

Autore	Weber Ursula
Pubbl/distr/stampa	Weinheim, [Germany] : , : Wiley-VCH, , 1998
Descrizione fisica	1 online resource (411 p.)
Disciplina	543.0877 547.128
Collana	Spectroscopic Techniques: An Interactive Course
Soggetto topico	Nuclear magnetic resonance spectroscopy - Data processing
Soggetto genere / forma	Electronic books.
ISBN	1-282-01031-X 9786612010316 3-527-61235-1 3-527-61232-7
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	NMR Spectroscopy: Modern Spectral Analysis; Table of Contents; 1 Introduction; 1.1 Scope and Audience; 1.2 Organisation; 1.3 Personal Qualifications; 1.4 Contents; 1.5 Technical Requirements; 1.6 Software; 1.6.1 General Remarks; 1.6.2 Installation; 1.6.3 Basic Program Knowledge; 1.6.4 Book Formatting; 1.7 Recommended Reading and References; 2 General Characteristics of Spin Systems; 2.1 The Chemical Shift; 2.1.1 Spin Systems Without Coupling; 2.1.2 The NMR Resonance Frequency; 2.1.2.1 The NMR Transition Frequency; 2.1.2.2 The NMR Transition Intensity; 2.1.2.3 The NMR Lineshape 2.1.3 Two Non-Coupled Spins2.1.3.1 Two Isochronous Spins; 2.1.3.2 Two Non-Isochronous Spins Without Coupling; 2.1.4 Basic Notation of Spin Systems; 2.1.5 Summary and Examples; 2.2 First Order Spin Systems; 2.2.1 Introduction to Spin-Spin Coupling; 2.2.2 The AX Spin System; 2.2.2.1 Heteronuclear AX Spin Systems; 2.2.2.2 Homonuclear AX Spin Systems; 2.2.2.3 Summary; 2.2.3 The AMX Spin System; 2.2.4 Extended First Order Spin Systems; 2.2.4.1 AMRX Spin Svstems; 2.2.4.2 Fragmentation of Spin Systems; 2.3 Second Order Spin Systems; 2.3.1 Notational Aspects; 2.3.2 The AB Spin System 2.3.2.1 The Graphical Spectrum Analysis2.3.2.2 Suppression of Particular Transitions; 2.3.3 The ABX Spin System; 2.3.3.1 Analytical Solution for the ABX Spin System; 2.3.3.2 First Order Based ABX Solution; 2.3.4 Extended Spin Systems; 2.3.4.1 Taking Advantage of Field Effects; 2.4 Magnetic Equivalence; 2.4.1 Notational Aspects; 2.4.2 The Coupled A2 Spin System; 2.4.3 The Composite Particle Approach; 2.4.4 The A n Spin Systems; 2.4.5 First Order Spin Systems; 2.4.5.1 The A2X Spin System; 2.4.5.2 The AX3 Spin System; 2.4.5.3 AnXm Spin Systems 2.4.5.4 First Order Spin Systems with more than one Coupling2.4.6 Second Order Spin Systems; 2.4.6.1 The A2B Spin System; 2.5 References; 3 Structure and Spin System Parameters; 3.1 Symmetry Effects; 3.1.1 Structural and Notational Aspects; 3.1.2 The [AX1]2 Spin System; 3.1.3 The [AB]2 spin system; 3.2 Configuration Isomers in NMR; 3.2.1 Cis/trans Isomerism; 3.2.1.1 Determination of the Signs of Coupling Constants; 3.2.1.2 Extended Spin Systems; 3.2.2 Enantiomers and Diastereomers; 3.3 Conformation and NMR; 3.3.1 Taking Advantage of Field and Solvent Effects; 3.3.1.1 Linewidths 4.2.3 Spin Systems Containing 29Si
Record Nr.	UNINA-9910144258203321

Autore	Rauk Arvi <1942->
Edizione	[2nd ed.]
Pubbl/distr/stampa	New York, : Wiley-Interscience, 2001
Descrizione fisica	1 online resource (360 p.)
Disciplina	547.128 547/.128
Soggetto topico	Molecular orbitals Physical organic chemistry
Soggetto genere / forma	Electronic books.
ISBN	1-280-26470-5 9786610264704 0-470-35106-3 0-471-46184-9 0-471-22041-8
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	CONTENTS; PREFACE; 1 SYMMETRY AND STEREOCHEMISTRY; Purpose; Definition of a Group; Molecular Point Groups; Schoenflies Notation; Interrelations of Symmetry Elements; Type Classification; Isomerism and Measurements; Stereoisomerism of Molecules; Stereotopic Relationships of Groups in Molecules; Asymmetric Synthesis and Stereochemistry; NMR and Stereochemistry; Symmetry and Structural Parameters; Note on Hybridization; Symmetry and Orbitals; Atomic Orbitals; Molecular and Group Orbitals; In What Combination?; 2 MOLECULAR ORBITAL THEORY; Introduction; Electronic Schrödinger Equation (A.1) Fock Equations (A.42)The Basis Set (STO-3G, 6-31G*, and All That); Orbital Energies and Orbitals; Representation of MOs; Total Energies and the Hartree-Fock Limit; Successes and Failures of Hartree-Fock Theory; Beyond Hartree-Fock; Density Functional Theory; Geometry Optimization; Normal Coordinates and Harmonic Frequency Analysis; Zero Point Vibrational Energies; 3 ORBITAL INTERACTION THEORY; Relationship to Hartree-Fock Equations; Hückel Approximation; Orbital Energies and Total Electronic Energy; Case Study of a Two-Orbital Interaction; Case 1: ε[sub(A)] = ε[sub(B)], S[sub(AB)] = 0 Case 2: ε[sub(A)] = ε[sub(B)], [sub(AB)] > 0, [sub(AB)] « 1Case 3: ε[sub(A)] > ε[sub(B)], S[sub(AB)] = 0; Case 4: ε[sub(A)] > ε[sub(B)], S[sup(AB)] > 0; Effect of Overlap; Energetic Effect of Overlap; Orbital Effect of Overlap; First Look at Bonding; Relationship to Perturbation Theory; Generalizations for Intermolecular Interactions; Energy and Charge Distribution Changes from Orbital Interaction; Four-Electron, Two-Orbital Interaction; Three-Electron, Two-Orbital Interaction; Two-Electron, Two-Orbital Interaction; One-Electron, Two-Orbital Interaction; Zero-Electron, Two-Orbital Interaction Interactions between Molecules: Many Electrons, Many OrbitalsGeneral Principles Governing the Magnitude of h[sub(AB)] and S[sub(AB)]; Interactions of MOs; Electrostatic Effects; Group Orbitals; Zero-Coordinated Atoms; Monocoordinated Atoms; Dicoordinated Atoms; Tricoordinated Atoms; Tetracoordinated Atoms; Assumptions for Application of Qualitative MO Theory; Example: Carbonyl Group; Construction of Interaction Diagram; Interpretation of Interaction Diagram; Chemical Reactivity; Why Does It Work and When Might it Not?; 4 SIGMA BONDS AND ORBITAL INTERACTION THEORY C-X σ Bonds: X = C, N, O, F and X = F, Cl, Br, Iσ Bonds: Homolytic versus Heterolytic Cleavage; Heterolytic Cleavage of σ Bonds Involving C or H; Homolytic Cleavage of σ Bonds Involving C or H; Homonuclear σ Bonds C-C, N-N, O-O, F-F, Cl-Cl, Br-Br, and I-I; Interactions of σ Bonds; σ Bonds as Electron Donors or Acceptors; σ Bonds as Electron Acceptors; As a σ Acceptor; As a π Acceptor; σ Bonds as Electron Donors; As a σ Donor; As a π Donor; Bonding in Cyclopropane; 5 SIMPLE HÜCKEL MOLECULAR ORBITAL THEORY; Simple Hückel Assumptions Charge and Bond Order in SHMO Theory: (S[sub(AB)] = 0, One Orbital per Atom)
Record Nr.	UNINA-9910143189503321

Autore	RAUK, Arvi
Pubbl/distr/stampa	New York : John Wiley & sons, c1994
Descrizione fisica	XV, 307 p : ill. ; 24 cm + 1 floppy disk
Disciplina	547.128
Soggetto topico	Orbitali molecolari Chimica organica
ISBN	0-471-59389-3
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Record Nr.	UNISA-990000884030203316