Circular dichroism and magnetic circular dichroism spectroscopy for organic chemists [[electronic resource] /] / Nagao Kobayashi, Atsuya Muranaka, John Mack |
Autore | Kobayashi Nagao |
Pubbl/distr/stampa | Cambridge [England], : RSC Pub., 2012 |
Descrizione fisica | 1 online resource (217 p.) |
Disciplina | 543.54 |
Altri autori (Persone) |
MuranakaAtsuya
MackJohn |
Soggetto topico |
Circular dichroism
Magnetic circular dichroism |
Soggetto genere / forma | Electronic books. |
ISBN | 1-84973-293-0 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910461474203321 |
Kobayashi Nagao
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||
Cambridge [England], : RSC Pub., 2012 | ||
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Lo trovi qui: Univ. Federico II | ||
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Circular dichroism and magnetic circular dichroism spectroscopy for organic chemists [[electronic resource] /] / Nagao Kobayashi, Atsuya Muranaka, John Mack |
Autore | Kobayashi Nagao |
Pubbl/distr/stampa | Cambridge [England], : RSC Pub., 2012 |
Descrizione fisica | 1 online resource (217 p.) |
Disciplina | 543.54 |
Altri autori (Persone) |
MuranakaAtsuya
MackJohn |
Soggetto topico |
Circular dichroism
Magnetic circular dichroism |
ISBN | 1-84973-293-0 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910789747103321 |
Kobayashi Nagao
![]() |
||
Cambridge [England], : RSC Pub., 2012 | ||
![]() | ||
Lo trovi qui: Univ. Federico II | ||
|
Circular dichroism and magnetic circular dichroism spectroscopy for organic chemists / / Nagao Kobayashi, Atsuya Muranaka, John Mack |
Autore | Kobayashi Nagao |
Edizione | [1st ed.] |
Pubbl/distr/stampa | Cambridge [England], : RSC Pub., 2012 |
Descrizione fisica | 1 online resource (217 p.) |
Disciplina | 543.54 |
Altri autori (Persone) |
MuranakaAtsuya
MackJohn |
Soggetto topico |
Circular dichroism
Magnetic circular dichroism |
ISBN | 1-84973-293-0 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto |
Circular Dichroism and Magnetic Circular Dichroism Spectroscopy for Organic Chemists -- Contents -- Abbreviations -- CHAPTER 1 Theory of Optical Spectroscopy -- 1.1 Electronic Absorption Spectroscopy -- 1.1.1 Exciton Coupling Theory -- 1.2 CD Spectroscopy -- 1.2.1 Units used for CD Spectroscopy -- 1.2.2 Analysis of CD Spectra -- 1.3 MCD Spectroscopy -- 1.3.1 Zeeman Splitting of States -- 1.3.2 MCD Intensity Mechanism, Sign Conventions and Intensity Units -- 1.3.3 Quantitative Analysis of Groundstate and Excited State Magnetic Dipole Moments -- 1.3.4 MCD Spectroscopy of Transition Metal Complexes -- 1.3.5 Qualitative Analysis of MCD Spectra -- References -- CHAPTER 2 Empirical Rules in CD Spectra and Absolute Configuration of Molecules -- 2.1 The Octant Rule -- 2.2 Benzene Sector and Benzene Chirality Rules -- 2.2.1 Benzene Sector Rule -- 2.2.2 Benzene Chirality Rule -- References -- CHAPTER 3 Representative Systems Analysed by the Exciton Coupling Method -- 3.1 Exciton Coupling among Fewer than Four Identical Chromophores -- 3.1.1 Spectra of 5α-Cholestane-2β,3β- and 3β,6β-diol Bis(p-dimethylamino-benzoate) -- 3.1.2 Spectra of (6R,15R)-(+)-6,15-Dihydro-6,15-ethanonaphtho[2,3-c]pentaphene -- 3.1.3 Additivity Relationship in the Amplitudes of Exciton-Split CD Curves of Sugar Benzoates -- 3.1.4 Determination of the Absolute Configuration of Oligonaphthalenes -- 3.1.5 Determination of the Absolute Configuration of a Natural Catechol Product, Haematoxylin, using the Phthalocyanine Chromophore -- 3.1.6 Supramolecular Chirality in a Bisporphyrin System Axially Coordinated by a Chiral Guest -- 3.1.7 A Chiral Biscyanine Dye exhibiting an Exciton Couplet with Well-resolved Absorption Bands -- 3.1.8 CD and Absolute Configuration of C3 Symmetry Chiral Cyclotriveratrylenes -- 3.2 Polymer Systems (Systems Consisting of more than Four Chromophores).
3.2.1 Helical Structures of N-Alkylated Poly(p-benzamide)s -- 3.2.2 Conformation of Helical Poly(2,3-quinoxaline)s -- 3.3 Exciton Coupling between Non-Identical Chromophores -- 3.3.1 Determination of the Absolute Configuration of Allylic Alcohols: Systems Containing a C=C Double Bond and a Benzoate -- 3.3.2 Application of the Exciton Chirality Method to Conjugated Enones, Esters and Lactones -- References -- CHAPTER 4 Cyclodextrin Inclusion Compounds -- 4.1 Induced Circular Dichroism of CyDs -- 4.1.1 Inclusion of Pyrene in β-CyD at Room Temperature and in γ-CyD at 70° -- 4.1.2 Inclusion of 2,3-Diaminonaphthalene and 1,8-Diaminonaphthalene in β-CyD -- 4.1.3 Lid-type Inclusion of Pyrene-1,3,6,8-tetrasulphonate Anion by β-CyD -- 4.1.4 Inclusion of 4,4'-Substituted Biphenyls by β-CyD -- 4.1.5 Inclusion of Bipyridyls by β-CyD -- 4.1.6 Disposition of Ferrocene in β- or γ-CyD -- 4.1.7 Chirality of Two Pyrene Molecules in γ-CyD -- References -- CHAPTER 5 Metal Complexes -- 5.1 Systems which can be Analysed by Excition Coupling Theory: Absolute Configurations of Metal Complexes Containing o-Phenanthroline, 2,2'-Bipyridyl or Acetylacetonate -- 5.2 CD spectra in the d → d Transition Region -- 5.2.1 [Co(en)3]3+ and [Cr(en)3]3+ -- 5.2.2 Near-IR Absorption and CD Spectra of Ferrocyctochrome c: d → d Transitions -- References -- CHAPTER 6 Circular Dichroism Induced by Optically Active Binaphthyl -- 6.1 Chiral Binaphthyl-Induced CD in Phthalocyanines -- References -- CHAPTER 7 Analysis of Chiral Systems by Theoretical Calculations -- 7.1 Semi-empirical Calculations -- 7.1.1 Absolute Stereochemistry of (+)-1,8a-Dihydro-3, 8-Dimethylazulene -- 7.1.2 Analysis of Naphthalene-diene Derivatives -- 7.2 TD-DFT Calculations -- 7.2.1 Correlation between CD Sign and Conformation in Optically Active Oxo(phthalocyaninato)vanadium(IV) -- 7.2.2 Optically Active Porphyrin Dimers. 7.2.3 Absolute Configuration and Chiroptical Properties of Three-layered [3,3]Paracyclophane -- References -- CHAPTER 8 Circular Dichroism of Biomolecules -- 8.1 Protein Chromophores and Electronic Absorption Spectroscopy -- 8.2 CD Spectroscopy of Peptides -- 8.2.1 α-Helix CD -- 8.2.2 β-Sheet and random coil CD -- 8.2.3 β-Turn CD -- References -- CHAPTER 9 Analysis of MCD Spectra -- 9.1 Examples of the Analysis of Faraday A1 Terms -- 9.1.1 Cyclononatetraenide Anion -- 9.1.2 Cycloheptatrienyl (Tropylium) Cation -- 9.1.3 C60 Fullerene -- 9.1.4 Identification of the Electronic Origin of the S1 State of Zinc Tetraphenyltetraacenaphthoporphyrin -- 9.2 Examples of the Analysis of Faraday B0 Terms -- 9.2.1 Analysis of the Symmetry-split Excited States of Azaporphyrins -- 9.2.2 Analysis of Data Recorded at Cryogenic Temperature: Phthalocyanine Anion Radicals -- 9.3 Examples of Analysis of Faraday C0 MCD Terms -- 9.3.1 The ''Fingerprint'' Approach -- 9.3.2 Analysis of Data Recorded at Cryogenic Temperatures -- 9.3.3 The Quantitative Analysis of Magnetisation Curves -- 9.4 Analysis of MCD Spectra based on Molecular Orbital Calculations -- References -- CHAPTER 10 Michl's Perimeter Model in MCD Spectroscopy -- 10.1 Michl's 4N+2-Perimeter Model for Aromatic π-Systems -- 10.2 Michl's 4N-Perimeter Model for Antiaromatic π-Systems -- 10.3 Applications of Michl's Perimeter Model -- 10.3.1 Negative Faraday A1 MCD Term in a Cyclobutadiene Dianion -- 10.3.2 The Effect of Ligand Non-planarity on the Alignment of the Excited State Magnetic Moments of Zinc Tetraphenyltetraacenaphthoporphyrin -- 10.3.3 The Application of the 4N and 4N+2 Perimeter Model to the Spectra of Hexaphyrin(1.1.1.1.1.1)s -- 10.3.4 Using Michl's Perimeter Model to Conceptualise the Optical Properties of Low Symmetry Aromatic π-Systems. 10.3.5 Analysis of the MCD Spectra of Benzofuran Derivatives Substituted with Group 16 Heteroatoms -- References -- Subject Index. |
Record Nr. | UNINA-9910808297603321 |
Kobayashi Nagao
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Cambridge [England], : RSC Pub., 2012 | ||
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Lo trovi qui: Univ. Federico II | ||
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A practical guide to magnetic circular dichroism spectroscopy [[electronic resource] /] / W. Roy Mason |
Autore | Mason W. Roy |
Pubbl/distr/stampa | Hoboken, N.J., : Wiley-Interscience, c2007 |
Descrizione fisica | 1 online resource (237 p.) |
Disciplina |
543.54
543/.54 |
Soggetto topico |
Molecular spectroscopy
Molecular spectra Magnetic circular dichroism |
Soggetto genere / forma | Electronic books. |
ISBN |
1-280-91673-7
9786610916733 0-470-13923-4 0-470-13922-6 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto |
A PRACTICAL GUIDE TO MAGNETIC CIRCULAR DICHROISM SPECTROSCOPY; CONTENTS; PREFACE; 1. Introduction; 2. Polarized Light; 2.1. Linear Polarization and Plane Polarized Waves; 2.2. Circular Polarization and Circularly Polarized Waves; 2.3. Absorption Probabilities; 3. Theoretical Framework: Definition of MCD Terms; 3.1. Born-Oppenheimer/Franck-Condon Approximation; 3.2. Rigid-Shift Approximation; 3.3. A(1)-, B(0)-, and C(0)-Term Parameters; 3.4. A Terms; 3.5. C Terms; 3.6. B Terms; 3.7. Pseudo A Terms: Overlapping B Terms; 3.8. Overlapping C Terms; 3.9. Ground-State Near Degeneracy
5.3. The Wigner-Eckart Theorem and Reduced Matrix Elements (RMEs)5.4. MCD-Term Equations Involving RMEs; 5.5. Evaluation of RMEs for MCD Terms; 5.6. Evaluation of Matrix Elements for LCAO-MO Functions; 5.7. Spin-Orbit Coupling Considerations; 5.8. Herzberg-Teller Approximation for Vibronic Transitions; 6. Case Studies I. Diamagnetic Systems: A and B Terms; 6.1. A and B Terms for Diamagnetic Atoms and Molecules; 6.2. Atomic Mercury Vapor; 6.3. The Sodide Ion Na(-) in a Solid NH(3) Matrix; 6.4. Square Complexes of D(4h) Symmetry; 6.4.1. Ligand Field Spectra for PtCl4(2-)(4) 6.9.2. Rydberg Transitions for CH(3)I and CD(3)I in the Vacuum UV |
Record Nr. | UNINA-9910143847003321 |
Mason W. Roy
![]() |
||
Hoboken, N.J., : Wiley-Interscience, c2007 | ||
![]() | ||
Lo trovi qui: Univ. Federico II | ||
|
A practical guide to magnetic circular dichroism spectroscopy [[electronic resource] /] / W. Roy Mason |
Autore | Mason W. Roy |
Pubbl/distr/stampa | Hoboken, N.J., : Wiley-Interscience, c2007 |
Descrizione fisica | 1 online resource (237 p.) |
Disciplina |
543.54
543/.54 |
Soggetto topico |
Molecular spectroscopy
Molecular spectra Magnetic circular dichroism |
ISBN |
1-280-91673-7
9786610916733 0-470-13923-4 0-470-13922-6 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto |
A PRACTICAL GUIDE TO MAGNETIC CIRCULAR DICHROISM SPECTROSCOPY; CONTENTS; PREFACE; 1. Introduction; 2. Polarized Light; 2.1. Linear Polarization and Plane Polarized Waves; 2.2. Circular Polarization and Circularly Polarized Waves; 2.3. Absorption Probabilities; 3. Theoretical Framework: Definition of MCD Terms; 3.1. Born-Oppenheimer/Franck-Condon Approximation; 3.2. Rigid-Shift Approximation; 3.3. A(1)-, B(0)-, and C(0)-Term Parameters; 3.4. A Terms; 3.5. C Terms; 3.6. B Terms; 3.7. Pseudo A Terms: Overlapping B Terms; 3.8. Overlapping C Terms; 3.9. Ground-State Near Degeneracy
5.3. The Wigner-Eckart Theorem and Reduced Matrix Elements (RMEs)5.4. MCD-Term Equations Involving RMEs; 5.5. Evaluation of RMEs for MCD Terms; 5.6. Evaluation of Matrix Elements for LCAO-MO Functions; 5.7. Spin-Orbit Coupling Considerations; 5.8. Herzberg-Teller Approximation for Vibronic Transitions; 6. Case Studies I. Diamagnetic Systems: A and B Terms; 6.1. A and B Terms for Diamagnetic Atoms and Molecules; 6.2. Atomic Mercury Vapor; 6.3. The Sodide Ion Na(-) in a Solid NH(3) Matrix; 6.4. Square Complexes of D(4h) Symmetry; 6.4.1. Ligand Field Spectra for PtCl4(2-)(4) 6.9.2. Rydberg Transitions for CH(3)I and CD(3)I in the Vacuum UV |
Record Nr. | UNINA-9910830374003321 |
Mason W. Roy
![]() |
||
Hoboken, N.J., : Wiley-Interscience, c2007 | ||
![]() | ||
Lo trovi qui: Univ. Federico II | ||
|
A practical guide to magnetic circular dichroism spectroscopy / / W. Roy Mason |
Autore | Mason W. Roy |
Pubbl/distr/stampa | Hoboken, N.J., : Wiley-Interscience, c2007 |
Descrizione fisica | 1 online resource (237 p.) |
Disciplina | 543/.54 |
Soggetto topico |
Molecular spectroscopy
Molecular spectra Magnetic circular dichroism |
ISBN |
1-280-91673-7
9786610916733 0-470-13923-4 0-470-13922-6 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto |
A PRACTICAL GUIDE TO MAGNETIC CIRCULAR DICHROISM SPECTROSCOPY; CONTENTS; PREFACE; 1. Introduction; 2. Polarized Light; 2.1. Linear Polarization and Plane Polarized Waves; 2.2. Circular Polarization and Circularly Polarized Waves; 2.3. Absorption Probabilities; 3. Theoretical Framework: Definition of MCD Terms; 3.1. Born-Oppenheimer/Franck-Condon Approximation; 3.2. Rigid-Shift Approximation; 3.3. A(1)-, B(0)-, and C(0)-Term Parameters; 3.4. A Terms; 3.5. C Terms; 3.6. B Terms; 3.7. Pseudo A Terms: Overlapping B Terms; 3.8. Overlapping C Terms; 3.9. Ground-State Near Degeneracy
5.3. The Wigner-Eckart Theorem and Reduced Matrix Elements (RMEs)5.4. MCD-Term Equations Involving RMEs; 5.5. Evaluation of RMEs for MCD Terms; 5.6. Evaluation of Matrix Elements for LCAO-MO Functions; 5.7. Spin-Orbit Coupling Considerations; 5.8. Herzberg-Teller Approximation for Vibronic Transitions; 6. Case Studies I. Diamagnetic Systems: A and B Terms; 6.1. A and B Terms for Diamagnetic Atoms and Molecules; 6.2. Atomic Mercury Vapor; 6.3. The Sodide Ion Na(-) in a Solid NH(3) Matrix; 6.4. Square Complexes of D(4h) Symmetry; 6.4.1. Ligand Field Spectra for PtCl4(2-)(4) 6.9.2. Rydberg Transitions for CH(3)I and CD(3)I in the Vacuum UV |
Record Nr. | UNINA-9910876936903321 |
Mason W. Roy
![]() |
||
Hoboken, N.J., : Wiley-Interscience, c2007 | ||
![]() | ||
Lo trovi qui: Univ. Federico II | ||
|