Conformational analysis of molecules in excited states:
Saved in:
| Format: | Book |
|---|---|
| Language: | English |
| Published: |
New York [u.a.]
Wiley-VCH
2000
|
| Series: | Methods in stereochemical analysis
|
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XV, 376 S. graph. Darst. |
| ISBN: | 0471297070 |
Staff View
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| 245 | 1 | 0 | |a Conformational analysis of molecules in excited states |c ed. by Jacek Waluk |
| 264 | 1 | |a New York [u.a.] |b Wiley-VCH |c 2000 | |
| 300 | |a XV, 376 S. |b graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 0 | |a Methods in stereochemical analysis | |
| 650 | 7 | |a Analyse conformationnelle |2 ram | |
| 650 | 7 | |a Angeregter Zustand |2 swd | |
| 650 | 7 | |a Chimie des états excités |2 ram | |
| 650 | 7 | |a Konformationsanalyse |2 swd | |
| 650 | 7 | |a Structure moléculaire |2 ram | |
| 650 | 4 | |a Excited state chemistry | |
| 650 | 4 | |a Molecular structure | |
| 700 | 1 | |a Waluk, Jacek |e Sonstige |4 oth | |
| 856 | 4 | 2 | |m GBV Datenaustausch |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009066027&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
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Record in the Search Index
| _version_ | 1804128066462547968 |
|---|---|
| adam_text | CONFORMATIONAL ANALYSIS OF MOLECULES IN EXCITED STATES EDITED BY JACEK
WALUK WILEY-VCH NEW YORK * CHICHESTER * WEINHEIM * BRISBANE * SINGAPORE
* TORONTO CONTENTS PREFACE XI CONTRIBUTORS XV 1. CONFORMATIONAL CHANGES
ACCOMPANYING INTRAMOLECULAR EXCITED STATE ELECTRON TRANSFER 1 WOLFGANG
RETTIG AND MICHAEL MAUS 1. INTRODUCTION 1 1.1 TWISTING OF AMINO GROUPS 2
1.2 BIAROMATIC COMPOUNDS 3 1.3 COMPOUNDS WITH SEVERAL FLEXIBLE BONDS:
STILBENES, POLYENES, CYANINES 4 2. BASIC PRINCIPLES 4 2.1 MESOMERIC
INTERACTION 4 2.2 SELF-DECOUPLING BIRADICALOID INTERACTION WITH THE
GROUND STATE 5 2.3 INTERACTION WITH LOCALLY EXCITED STATES 6 2.4 STERIC
INTERACTION 6 2.5 PYRAMIDALIZATION AT THE AMINO NITROGEN 6 2.6
REHYBRIDIZATION IN NITROGEN-CONTAINING ACCEPTOR GROUPS 8 3.
ACCEPTOR-SUBSTITUTED ANILINES: EVIDENCE FOR EXCITED-STATE TWISTING IN
DMABN AND DERIVATIVES 8 3.1 PRETWISTED AND PLANARIZED MODEL COMPOUNDS 11
3.2 THE DYNAMIC APPROACH 14 3.3 THE EMISSION TRANSITION MOMENT 15 3.4
OPEN QUESTIONS 16 4. ARYL-ARYL SYSTEMS 17 4.1 FROM BIPHENYL TO
DONOR-ACCEPTOR BIARYLS 18 4.2 TOOLS FOR A CONFORMATIONAL ANALYSIS USING
OPTICAL SPECTROSCOPY 22 4.3 ANALYSIS OF DIFFERENT CHARGE TRANSFER BIARYL
COMPOUNDS 27 5. CONCLUDING REMARKS 49 V VI CONTENTS 2. CONFORMATIONAL
ASPECTS OF INTRA- AND INTERMOLECULAR EXCITED-STATE PROTON TRANSFER 57
JACEK WALUK 1. INTRODUCTION 57 2. THE NEVER-ENDING STORY OF 7-AZAINDOLE
AND ITS RELATIVES 60 2.1 EXCITED STATE DOUBLE-PROTON TRANSFER (ESPDT) IN
7-AZAINDOLE DIMERS 60 2.2 7-AZAINDOLE AND 1-AZACARBAZOLE: SIMILARITIES
AND DIFFERENCES 66 2.3 EXCITED-STATE DOUBLE PROTON TRANSFER IN ALCOHOL
AND WATER COMPLEXES OF 7-AZAINDOLE 66 2.4 EXCITED-STATE DOUBLE-PROTON
TRANSFER IN 2-(2 -PYRIDYL)INDOLES, LH-PYRROLO[3,2-/Z]QUINOLINE AND
RELATED STRUCTURES 71 3. 7-HYDROXYQUINOLINE: THE CASE OF PROTON RELAY 74
4. ROTATIONAL ISOMERISM AND PROTON TRANSFER 78 4.1 SALICYLIC ACID AND
ITS DERIVATIVES 78 4.2 2-(2 -HYDROXYPHENYL)BENZAZOLES 83 4.3
2-(2 -HYDROXYPHENYL)BENZOTRIAZOLES 85 5. PHOTOCHROMIC AND THERMOCHROMIC
SUBSTANCES 86 5.1 SALICYLIDENEANILINES 86 5.2 DINITROBENZYLPYRIDINES AND
DERIVATIVES 88 6. SOLVENT CONTROL OF THE EXCITED-STATE PROTON TRANSFER
90 6.1 SOLVENT INTERFERENCE WITH THE EXCITED-STATE INTRAMOLECULAR PROTON
TRANSFER 90 6.2 SOLVENT-ASSISTED EXCITED-STATE PROTON TRANSFER 93 6.3
NON-SPECIFIC SOLVENT EFFECTS 96 6.4 EXCITED-STATE PROTON TRANSFER IN
CLUSTERS 98 7. CONCLUDING REMARKS 98 3. THE ROLE OF SOLUTE-SOLVENT
FRICTION IN LARGE-AMPLITUDE MOTIONS 113 DAVID H. WALDECK 1. INTRODUCTION
113 2. ROTATIONAL RELAXATION 115 2.1 CONTINUUM MODELS FOR THE FRICTION
118 2.2 MOLECULAR MODELS FOR THE FRICTION 125 2.3 EXPERIMENTAL STUDIES
OF SOLUTE-SOLVENT FRICTIONAL COUPLING 128 CONTENTS VII 3. ORIENTATIONAL
RELAXATION OF BIMOLECULAR COMPLEXES 135 3.1 THEORETICAL MODELS 137 3.2
EXPERIMENTAL EXAMPLES 142 4. ISOMERIZATION AND THE IMPORTANCE OF
FRICTIONAL COUPLING 148 4.1 MODELS FOR THE RATE CONSTANT 150 4.2
IDENTIFYING AN INTRINSIC BARRIER 154 4.3 MODELING THE FRICTION 156 4.4
THE IMPORTANCE OF OTHER DEGREES OF FREEDOM 162 4.5 BARRIERLESS REACTIONS
163 5. CONCLUSION 164 4. STRUCTURAL ASPECTS OF EXCIPLEX FORMATION 177
FRED BROUWER 1. EXCIPLEXES AND OTHER EXCITED-STATE COMPLEXES 177 2.
FORMATION AND DECAY OF EXCIPLEXES 181 2.1 FORMATION OF EXCIPLEXES 181
2.2 RATES OF ELECTRON TRANSFER QUENCHING 184 2.3 FLUORESCENCE
SOLVATOCHROMIC SHIFT 190 2.4 DECAY OF EXCIPLEXES 192 3. ELECTRONIC AND
GEOMETRIE STRUCTURE OF EXCIPLEXES 204 3.1 BASIC CONSIDERATIONS 204 3.2
ELECTRONIC STRUCTURE OF EXCIPLEXES 205 3.3 SINGLET VS. TRIPLET
EXCIPLEXES 208 3.4 EXCIPLEX GEOMETRY 210 3.5 EXCIPLEX FORMATION IN
SUPERSONIC JETS 212 3.6 THE SOLVENT-SEPARATED ION PAIR: WHAT IS IT? 216
4. INTRAMOLECULAR EXCIPLEXES 217 4.1 PHOTOINDUCED CHARGE SEPARATION IN
LINKED ELECTRON DONOR-ACCEPTOR SYSTEMS 217 4.2 INTRAMOLECULAR EXCIPLEXES
IN ISOLATED MOLECULES 220 4.3 CONFORMATIONAL CHANGES FOLLOWING
INTRAMOLECULAR CHARGE SEPARATION IN SOLUTION 223 5. CONFORMATIONAL
ASPECTS OF ORGANIC PHOTOCHEMISTRY 237 GIAMPIERO BARTOCCI, ANNA
SPALLETTI, AND UGO MAZZUCATO 1. INTRODUCTION 237 1.1 INTERNAL ROTATION
AND CONFORMATIONAL EQUILIBRIA 237 1.2 RESTRICTED ROTATION ABOUT SP 1 -SP
2 CARBON-CARBON SINGLE BONDS 237 VIII CONTENTS 2. METHODS OF
INVESTIGATION 239 2.1 EXPERIMENTAL EVIDENCE OF GROUND-STATE ROTAMERS 239
2.2 COMPUTATIONAL TECHNIQUES 241 2.3 METHODS BASED ON FLUORIMETRY 242
2.4 EVIDENCES OF ROTAMER INTERCONVERSION IN THE EXCITED STATE (NON-NEER
BEHAVIOR) 252 3. TYPICAL EXAMPLES OF ROTAMERISM IN SOME SELECTED SERIES
OF OLEFINS 254 3.1 TWO-COMPONENT SYSTEMS: THE CASE OF TRANS-ANTHRYL
DERIVATIVES 255 3.2 THREE-COMPONENT SYSTEMS: THE CASE OF TRANS-
L-(2-NAPHTHYL),2-(6 -QUINOLYL)ETHENE 267 3.3 ROTAMERISM IN A,
CU-DIARYLPOLYENE S 273 4. CONFORMATIONAL CONTROL OF PHOTOCHEMISTRY 278
4.1 EFFECT ON THE PHOTOREACTION QUANTUM YIELD 278 4.2 EFFECT ON THE
DIRECTION OF PHOTOREACTION (MULTIWAY CYCLIZATION OF EIS ISOMERS) 284 5.
CONCLUDING REMARKS 291 6. CALCULATIONS OF EXCITED-STATE CONFORMATIONAL
PROPERTIES 297 MASSIMO OLIVUCCI, MICHAEL A. ROBB, AND FERNANDO BERNARDI
1. INTRODUCTION 297 2. THE CASE OF BUTA-L,3-DIENE 300 2.1 THE STRUCTURE
OF THE S BUTA-L,3-DIENE ENERGY SURFACE 307 2.2 CONICAL INTERSECTION
CONFORMERS AND REACTION SELECTIVITY 311 2.3 EXCITED-STATE CONFORMATIONS
AND STEREOSELECTIVITY OF THE PHOTOCHEMICAL S-CIS BUTA-1,3-DIENE RING
CLOSURE 315 2.4 THE NONSTEREOSPECIFIC RING OPENING OF CYCLOBUTENE 319
2.5 ULTRAFAST PHOTOCHEMISTRY OF BUTA-1,3-DIENE 319 2.6 BUTA-1,3-DIENE
TRIPLET CONFORMERS AND TRIPLET PHOTOCHEMISTRY 320 3. METHODS FOR
EXCITED-STATE COMPUTATIONS 321 3.1 THE POTENTIAL ENERGY SURFACE
COMPUTATION: THE CAS-SCF METHOD 322 3.2 SEARCH AND COMPUTATION OF
EXCITED-STATE REACTION PATHS 326 4. EXCITED-STATE CONFORMATIONS OF
ORGANIC CHROMOPHORES 331 4.1 LINEAR CONJUGATED HYDROCARBONS (POLYENES
AND POLYENYL RADICALS) 333 CONTENTS 4.2 ADIABATIC VS. NONADIABATIC PATHS
AND PHOTOCHEMICAL STEREOSELECTIVITY 336 4.3 PHOTOCHEMICAL
CHEMOSELECTIVITY AND REGIOSELECTIVITY: THE CASE OF Z-HEXA-L,3,5-TRIENE
344 4.4 CYCLIC CONJUGATED HYDROCARBONS 346 4.5 CONFORMATIONAL EFFECTS OF
CONJUGATED HETEROATOMS: PROTONATED SCHIFF BASES 348 4.6 CONFORMATIONAL
EFFECTS OF CONJUGATED HETEROATOMS: A, SS-ENONES 350 4.7 7I VS A
CONJUGATION: OLIGOSILANES 356 5. CONCLUSIONS 361 INDEX 367 H. DUDDECK,
W. DIETRICH STRUCTURE ELUCIDATION BY MODERN NMR AWORKBOOK 2ND, REVISED
AND ENLARGED EDITION WITH PREFACES BY J. B. STOTHERS AND K. NAKANISHI
STEINKOPFF VERLAG DARMSTADT SPRINGER-VERLAG NEW YORK CONTENTS FOREWORD
PREFACES 1. INTRODUCTION 1 2. METHODOLOGY 7 2.1 HIGH MAGNETIC FIELDS 7
2.2 ONE-DIMENSIONAL B C NMR SPECTRA (DEPT) 9 2.3 NOE DIFFERENCE SPECTRA
13 2.4 TI/H CORRELATED (H,H COSY) 2D NMR SPECTRA 17 2.5 H^C CORRELATED
(H,C COSY) 2D NMR SPECTRA 23 2.6 COLOC SPECTRA 25 2.7 2D 13 C, 13 C (C,C
COSY) INADEQUATE SPECTRA 27 3. EXERCISES 31 4. STRATEGIES 169 5.
SOLUTIONS 179 COMPOUND INDEX 267
|
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| indexdate | 2024-07-09T18:43:20Z |
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| isbn | 0471297070 |
| language | English |
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| physical | XV, 376 S. graph. Darst. |
| publishDate | 2000 |
| publishDateSearch | 2000 |
| publishDateSort | 2000 |
| publisher | Wiley-VCH |
| record_format | marc |
| series2 | Methods in stereochemical analysis |
| spelling | Conformational analysis of molecules in excited states ed. by Jacek Waluk New York [u.a.] Wiley-VCH 2000 XV, 376 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Methods in stereochemical analysis Analyse conformationnelle ram Angeregter Zustand swd Chimie des états excités ram Konformationsanalyse swd Structure moléculaire ram Excited state chemistry Molecular structure Waluk, Jacek Sonstige oth GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009066027&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Conformational analysis of molecules in excited states Analyse conformationnelle ram Angeregter Zustand swd Chimie des états excités ram Konformationsanalyse swd Structure moléculaire ram Excited state chemistry Molecular structure |
| title | Conformational analysis of molecules in excited states |
| title_auth | Conformational analysis of molecules in excited states |
| title_exact_search | Conformational analysis of molecules in excited states |
| title_full | Conformational analysis of molecules in excited states ed. by Jacek Waluk |
| title_fullStr | Conformational analysis of molecules in excited states ed. by Jacek Waluk |
| title_full_unstemmed | Conformational analysis of molecules in excited states ed. by Jacek Waluk |
| title_short | Conformational analysis of molecules in excited states |
| title_sort | conformational analysis of molecules in excited states |
| topic | Analyse conformationnelle ram Angeregter Zustand swd Chimie des états excités ram Konformationsanalyse swd Structure moléculaire ram Excited state chemistry Molecular structure |
| topic_facet | Analyse conformationnelle Angeregter Zustand Chimie des états excités Konformationsanalyse Structure moléculaire Excited state chemistry Molecular structure |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009066027&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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