Symmetry, spectroscopy, and crystallography: the structural nexus
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Weinheim
Wiley-VCH
2015
|
| Schlagworte: | |
| Online-Zugang: | Inhaltstext Inhaltsverzeichnis |
| Beschreibung: | XV, 311 S. Ill., graph. Darst. 244 mm x 170 mm |
| ISBN: | 9783527337491 9783527684199 |
Internformat
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Datensatz im Suchindex
| _version_ | 1806332328384921600 |
|---|---|
| adam_text |
VII
CONTENTS
FROM THE AUTHOR'S DESK XIII
1 SYMMETRY/PSEUDOSYMMETRY: CHIRALITY IN MOLECULES, IN NATURE, AND IN
THE COSMOS 1
1.1 INTRODUCTION 1
1.2 RUDIMENTARY GROUP THEORY, ISOMETRY, AND SYMMETRY 4
1.3 ASYMMETRIC VERSUS CHIRAL: THE/-SYMMETRY OF VIRAL CAPSIDS 7
1.4 THE BIRTH OF CHIRALITY AS A CHEMICAL CONCEPT 9
1.5 APPARENT SYMMETRY (HIGH-FIDELITY PSEUDOSYMMETRY) AND THE
QUANTIFICATION OF DISTORTION FROM THE IDEAL 11
1.6 CHIRALITY IN FORM AND ARCHITECTURE: SYMMETRY VERSUS BROKEN
SYMMETRY 16
1.7 CHIRALITY IN NATURE: TROPICAL STORMS, GASTROPODS (SHELLS), AND
FISH 17
1.8 EXTRATERRESTRIAL MACROSCALE CHIRALITY: SPIRAL GALAXIES, MARTIAN SAND
DEVILS, JOVIAN GREAT RED SPOT, NEPTUNE'S GREAT DARK SPOT, AND
VENUSIAN SOUTH-POLE CLOUD VORTEX 20
1.9 ANALYSES OF AMINO ACID CHIRALITY IN EXTRATERRESTRIAL SAMPLES WITH
GAS
- LIQUID CHROMATOGRAPHY CHIRAL COLUMNS 23
2 ENANTIOSPECIFICITY OF PHEROMONES, SWEETENERS, FRAGRANCES, AND
DRUGS 25
2.1 ENANTIOSPECIFICITY OF PHEROMONES, SWEETENERS, AND FRAGRANCES 25
2.2 THE IMPORTANCE OF CHIRALITY IN DRUG THERAPY 27
3 BONDING PARAMETERS AND THE EFFECT OF LOCAL ENVIRONMENT ON MOLECULAR
STRUCTURE 33
3.1 SYMMETRY ARGUMENTS AND THE EFFECT OF THE ENVIRONMENT ON
MOLECULAR STRUCTURE 33
HTTP://D-NB.INFO/1067782117
VIII
|
CONTENTS
3.2 THE EFFECT OF LOCAL ENVIRONMENT ON MOLECULAR MODELS AND
MOLECULAR STRUCTURE 34
3.3 TORSION ANGLES AND MOLECULAR CONFORMATION 35
3.4 SYMMETRY CONSIDERATIONS OF ATOMIC ORBITAL HYBRIDIZATION AND
BONDING PARAMETERS 39
4 HISTORICAL DEVELOPMENT OF STRUCTURAL CHEMISTRY: FROM ALCHEMY TO
MODERN STRUCTURAL THEORY 41
4.1 HEMIHEDRALISM IN QUARTZ CRYSTALS: SETTING THE STAGE FOR THE BIRTH OF
STEREOCHEMISTRY 41
4.2 TARTARIC ACID AND ALCHEMY 45
4.3 HEMIHEDRALISM IN CRYSTALLINE TARTARIC ACID SALTS: THE BIRTH OF
MOLECULAR CHIRALITY 46
4.4 GIFT FOR PRELOG'S RETIREMENT: A MATCHED PAIR OF M'^-HEMIHEDRAL
FACED RIGHT- AND LEFT-HANDED QUARTZ CRYSTALS 54
4.5 EARLY STRUCTURAL REPRESENTATIONS OF ORGANIC SUBSTANCES AND THE
DEVELOPMENT OF MODERN STRUCTURAL CONCEPTS 55
4.6 FISCHER PROJECTIONS TO DETERMINE A- AND P-ANOMERIC
CONFIGURATIONS 64
5 CHIROPTICAL PROPERTIES 67
5.1 THE LANGUAGE OF SYMMETRY, ISOMERISM, AND THE CHARACTERIZATION OF
SYMMETRY RELATIONSHIPS WITHIN AND BETWEEN MOLECULES 67
5.2 CHIROPTICAL PROPERTIES: CIRCULAR BIREFRINGENCE, OPTICAL ROTATORY
DISPERSION, AND CIRCULAR DICHROISM 68
5.3 MILLER INDICES AND FRACTIONAL COORDINATES IN CRYSTALLOGRAPHY 74
5.4 SCANNING TUNNELING MICROSCOPY 78
5.5 DIRECT VISUALIZATION OF AN ENANTIOMER'S ABSOLUTE CONFIGURATION IN
THE GAS PHASE 82
6 SYMMETRY COMPARISON OF MOLECULAR SUBUNITS: SYMMETRY IN NUCLEAR
MAGNETIC RESONANCE SPECTROSCOPY AND IN DYNAMIC NMR 85
6.1 SYMMETRY IN NMR SPECTROSCOPY 85
6.2 SYMMETRY COMPARISON OF MOLECULAR SUBUNITS, TOPICITY
RELATIONSHIPS 87
6.3 DYNAMIC STEREOCHEMISTRY, DYNAMIC NUCLEAR MAGNETIC RESONANCE
SPECTROSCOPY (DNMR) 90
6.4 USE OF PERMUTATIONS IN DNMR FOR TOPOMERIZATION-,
ENANTIOMERIZATION-, AND DIASTEREOMERIZATION-EXCHANGE
PROCESSES
92
CONTENTS
| IX
7 PROCHIRALITY, ASYMMETRIC HYDROGENATION REACTIONS, AND THE
CURTIN
- HAMMETT PRINCIPLE 99
7.1 PROCHIRALITY OF ENANTIOTOPIC SUBUNITS 99
7.2 HOMOGENEOUS HYDROGENATION BY RHODIUM
1
/ACHIRAL DIPHOSPHINE
CATALYSTS DIFFERENTIATES THE DIASTEREOTOPIC PROCHIRAL FACES OF
OLEFINS 101
7.3 HOMOGENEOUS HYDROGENATION BY RHODIUM
1
/(CHIRAL DIPHOSPHINE)
CATALYSTS DIFFERENTIATES THE ENANTIOTOPIC PROCHIRAL FACES OF OLEFINS:
THE CURTIN-HAMMETT PRINCIPLE 104
8 STEREOGENIC ELEMENTS, CHIROTOPICITY, PERMUTATIONAL ISOMERS, AND
GEAR-LIKE CORRELATED MOTION OF MOLECULAR SUBUNITS 113
8.1 STEREOGENICITY, STEREOGENIC ELEMENTS, CHIROTOPICITY, AND THE
AMBIGUITY OF SOME STEREOCHEMICAL TERMS 113
8.2 TRIARYLAMINE PROPELLERS 11S
8.3 DYNAMIC STEREOCHEMISTRY OF PERMUTATIONAL ISOMERS: CORRELATED
MOTION IN TRIARYLAMINES 116
8.4 RELATIVE STEREOCHEMICAL DESCRIPTORS: RETRO-INVERSO ISOMERS 122
9 SYMMETRY IN EXTENDED PERIODIC ARRAYS OF MOLECULAR CRYSTALS AND THE
RELEVANCE OF PENROSE TILING RULES FOR NONPERIODIC QUASICRYSTAL
PACKING 127
9.1 SYMMETRY IN EXTENDED ARRAYS/MOLECULAR CRYSTALS 127
9.2 ACHIRAL PERIODIC ARRAYS OF CHIRAL OBJECTS AND RACEMIC COMPOUND
CRYSTAL LATTICES 132
9.3 CHIRAL PERIODIC ARRAYS 132
9.4 OCCUPANCY OF SPECIAL POSITIONS IN PERIODIC ARRAYS 136
9.5 THE BRAGG LAW AND X-RAY DIFFRACTION 139
9.6 THE INTERFEROGRAM PHENOMENON IN SINGLE-CRYSTAL X-RAY
CRYSTALLOGRAPHY 140
9.7 X-RAY FIBER DIFFRACTION 143
9.8 PENROSE TILING MATCHING RULES, QUASICRYSTAL PACKING, AND
DODECAHEDRANE 145
10 MULTIPLE MOLECULES IN THE ASYMMETRIC UNIT, "FAKING IT";
PSEUDOSYMMETRY EMULATION OF ACHIRAL HIGHER ORDER SPACE FILLING IN
KRYPTORACEMATE CHIRAL CRYSTALS 149
10.1 MULTIPLE MOLECULES WITHIN AN ASYMMETRIC UNIT 149
10.2 "FAKING IT": PSEUDOSYMMETRY EMULATION OF ACHIRAL HIGHER-ORDER
SPACE FILLING IN KRYPTORACEMATE CHIRAL CRYSTALS 151
10.3 DESYMMETRIZATION OF PLATONIC-SOLID GEOMETRIES RESULTING FROM
CRYSTALLOGRAPHIC SYMMETRY CONSTRAINTS 161
X |
CONTENTS
10.4 MOBILITY OF CUBANE AND DODECAHEDRANE (CH)
N
SPHERICAL MOLECULES
WITHIN A CRYSTAL LATTICE 164
11 PLATONIC-SOLID GEOMETRY MOLECULES AND CRYSTALLOGRAPHIC CONSTRAINTS
UPON MOLECULAR GEOMETRY, SYMMETRY DISTORTIONS FROM IDEALITY 169
11.1 GEOMETRICAL CONSIDERATIONS IN HIGH-SYMMETRY MOLECULES 169
11.2 SYNTHESES STRATEGIES OF HIGH-SYMMETRY CHIRAL MOLECULES 171
11.3 ETHANO-BRIDGE ENANTIOMERIZATION OF T-SYMMETRY MOLECULES 173
11.4 SELF-ASSEMBLY OF T-SYMMETRY CHIRAL MOLECULES 176
11.5 ENANTIOMERIZATION OF T-SYMMETRY CLUSTERS 180
11.6 TETRADENTATE EDGE-LINKER UNITS SEPARATED BY A SPACER 183
11.7 SELF-
ASSEMBLY OF O-SYMMETRY CHIRAL MOLECULES 184
11.8 O-SYMMETRY FERRITIN PROTEIN OCTAHEDRAL SHELL 18S
11.9 DESYMMETRIZATION RESULTING FROM SYMMETRY AND CHEMICAL
CONSTRAINTS 186
12 SOLID-STATE NMR SPECTROSCOPIC/X-RAY CRYSTALLOGRAPHIC INVESTIGATION OF
CONFORMATIONAL POLYMORPHISM/PSEUDOPOLYMORPHISM IN CRYSTALLINE
STABLE AND LABILE HYDRATED DRUGS 189
12.1 DIVALENT ANIONS LINKING CONFORMATIONALLY DIFFERENT AMMONIUM
CATIONS 189
12.2 CROSS POLARIZATION/MAGIC ANGLE SPINNING SOLID-STATE NMR AND
X-RAY CRYSTALLOGRAPHIC STUDIES ON THE ELUSIVE "TRIHYDRATE" FORM OF
SCOPOLAMINE-HYDROBROMIDE, AN ANTICHOLINERGIC DRUG 191
13 NMR SPECTROSCOPIC DIFFERENTIATION OF DIASTEREOMERIC ISOMERS HAVING
SPECIAL POSITIONS OF MOLECULAR SYMMETRY 205
13.1 NMR ANISOCHRONISM OF NUCLEI AT SPECIAL POSITIONS OF MOLECULAR
SYMMETRY 205
13.2 PATTERN RECOGNITION: A GRAPHICAL APPROACH TO DECIPHERING
MULTIPLET PATTERNS 207
14 STEREOCHEMISTRY OF MEDIUM RING CONFORMATIONS 213
14.1 A SHORT PRIMER ON MEDIUM RING STEREOCHEMISTRY 213
14.2 ASSIGNMENT OF EQUATORIAL-ZAXIAL-SUBSTITUENT DESCRIPTORS TO RINGS OF
ANY SIZE 214
14.3 NMR STRUCTURE DETERMINATION OF MEDIUM-RING SOLUTION-STATE
CONFORMATIONS 216
14.4 DYNAMIC DISORDER IN CRYSTALS 221
CONTENTS | XI
15 THE PHARMACOPHORE METHOD FOR COMPUTER ASSISTED DRUG DESIGN 229
15.1 THE PHARMACOPHORE, NEUROTRANSMITTERS AND SYNAPSE 229
15.2 THE PHARMACOPHORE METHOD FOR COMPUTER ASSISTED DRUG
DESIGN 231
15.3 DETERMINATION OF THE DOPAMINE REUPTAKE SITE PHARMACOPHORE 233
15.4 METHYLPHENIDATE (RITALIN-HCL) AND (-)-COCAINE-HCL 235
15.5 RITALIN VERSUS COCAINE: BINDING AFFINITY AND INHIBITORY
CONCENTRATION 238
15.6 SECOND GENERATION PHARMACOPHORE: THE ORIENTATION OF THE NH
PROTON 242
15.7 AVOIDANCE OF ADJACENT GAUCHE
+
GAUCHE" INTERACTIONS 244
15.8 STATIC DISORDER IN IV-METHYL RITALIN CRYSTALS 246
15.9 DEVELOPMENT OF SPECIFIC DOPAMINE REUPTAKE INHIBITORS (SDRI) 250
16 THE X-RAY STRUCTURE-BASED METHOD OF RATIONAL DESIGN 255
16.1 X-RAY CRYSTALLOGRAPHIC STRUCTURE-BASED MOLECULAR DESIGN 255
16.2 THE DIFFERENT PRIMARY AMMONIUM AND QUATERNARY AMINIUM
BINDING MODES 258
16.3 SEARCH FOR UNUSED BINDING SITES 263
16.4 PRIMARY AMMONIUM AND QUATERNARY AMINIUM BINDING MODES IN
CB[7 AND 8] COMPLEXES OF DIAMANTANE-4,9-SUBSTITUTED GUESTS 265
17 HELICAL STEREOCHEMISTRY 269
17.1 HELICAL STEREOCHEMISTRY 269
17.2 2W
N
-SYMMETRY ACHIRAL HELICAL PATHWAYS 273
17.3 "LA COUPE DU ROI": CHIRAL APPLE HALVES PRODUCED BY A
4
2
-BISECTION 278
17.4 INTERMESHING MOLECULAR THREEFOLD HELICES: SYMMETRY, CHEMICAL,
AND PHASE CONSIDERATIONS 281
17.5 X-RAY FIBER VERSUS SINGLE-CRYSTAL DIFFRACTION MODELS 289
REFERENCES 293
INDEX 301 |
| any_adam_object | 1 |
| author | Glaser, Robert 1942- |
| author_GND | (DE-588)1076380867 |
| author_facet | Glaser, Robert 1942- |
| author_role | aut |
| author_sort | Glaser, Robert 1942- |
| author_variant | r g rg |
| building | Verbundindex |
| bvnumber | BV042811556 |
| classification_rvk | UQ 1300 VE 5700 |
| ctrlnum | (OCoLC)904858872 (DE-599)DNB1067782117 |
| dewey-full | 540 541.223 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 540 - Chemistry and allied sciences 541 - Physical chemistry |
| dewey-raw | 540 541.223 |
| dewey-search | 540 541.223 |
| dewey-sort | 3540 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik |
| format | Book |
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| illustrated | Illustrated |
| indexdate | 2024-08-03T02:39:07Z |
| institution | BVB |
| isbn | 9783527337491 9783527684199 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-028241050 |
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| physical | XV, 311 S. Ill., graph. Darst. 244 mm x 170 mm |
| publishDate | 2015 |
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| publisher | Wiley-VCH |
| record_format | marc |
| spelling | Glaser, Robert 1942- Verfasser (DE-588)1076380867 aut Symmetry, spectroscopy, and crystallography the structural nexus Robert Glaser Weinheim Wiley-VCH 2015 XV, 311 S. Ill., graph. Darst. 244 mm x 170 mm txt rdacontent n rdamedia nc rdacarrier Molekülsymmetrie (DE-588)4170385-6 gnd rswk-swf Konfiguration Chemie (DE-588)4129572-9 gnd rswk-swf Anorganische Chemie Organische Chemie Spektroskopie Konfiguration Chemie (DE-588)4129572-9 s Molekülsymmetrie (DE-588)4170385-6 s DE-604 Erscheint auch als Online-Ausgabe, EPUB 978-3-527-68421-2 Erscheint auch als Online-Ausgabe, MOBI 978-3-527-68414-4 Erscheint auch als Online-Ausgabe, PDF 978-3-527-68420-5 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=5165451&prov=M&dok_var=1&dok_ext=htm Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028241050&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Glaser, Robert 1942- Symmetry, spectroscopy, and crystallography the structural nexus Molekülsymmetrie (DE-588)4170385-6 gnd Konfiguration Chemie (DE-588)4129572-9 gnd |
| subject_GND | (DE-588)4170385-6 (DE-588)4129572-9 |
| title | Symmetry, spectroscopy, and crystallography the structural nexus |
| title_auth | Symmetry, spectroscopy, and crystallography the structural nexus |
| title_exact_search | Symmetry, spectroscopy, and crystallography the structural nexus |
| title_full | Symmetry, spectroscopy, and crystallography the structural nexus Robert Glaser |
| title_fullStr | Symmetry, spectroscopy, and crystallography the structural nexus Robert Glaser |
| title_full_unstemmed | Symmetry, spectroscopy, and crystallography the structural nexus Robert Glaser |
| title_short | Symmetry, spectroscopy, and crystallography |
| title_sort | symmetry spectroscopy and crystallography the structural nexus |
| title_sub | the structural nexus |
| topic | Molekülsymmetrie (DE-588)4170385-6 gnd Konfiguration Chemie (DE-588)4129572-9 gnd |
| topic_facet | Molekülsymmetrie Konfiguration Chemie |
| url | http://deposit.dnb.de/cgi-bin/dokserv?id=5165451&prov=M&dok_var=1&dok_ext=htm http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028241050&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT glaserrobert symmetryspectroscopyandcrystallographythestructuralnexus |