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Record Nr. |
UNINA9910808297603321 |
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Autore |
Kobayashi Nagao |
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Titolo |
Circular dichroism and magnetic circular dichroism spectroscopy for organic chemists / / Nagao Kobayashi, Atsuya Muranaka, John Mack |
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Pubbl/distr/stampa |
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Cambridge [England], : RSC Pub., 2012 |
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ISBN |
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Edizione |
[1st ed.] |
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Descrizione fisica |
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1 online resource (217 p.) |
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Altri autori (Persone) |
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Disciplina |
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Soggetti |
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Circular dichroism |
Magnetic circular dichroism |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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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, |
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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 |
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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. |
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Sommario/riassunto |
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CD and MCD spectroscopy can provide key information about the conformations and electronic states of chromophore containing molecules. However, the theory has remained too challenging and inaccessible for many organic chemists and biochemists and only a few researchers have carried out detailed quantitative analyses of their spectral data. This is not surprising as people who excel at spectroscopic theory usually lack the skills set required to design and synthesise the molecules that would be most appropriate for describing and explaining the theory of CD and MCD spectroscopy. Most of the boo |
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