Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy:
Saved in:
| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
Berlin
Mensch & Buch
2011
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| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | 134 S. graph. Darst. |
| ISBN: | 9783866649675 |
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MARC
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Record in the Search Index
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| adam_text | IMAGE 1
CONTENTE
1 GENERAL INTRODUCTION AND GOALS OF THE RESEARCH 1
1.1 NMR FOR HYDROGEN BONDS INVESTIGATION 3
1.2 MAIN GOALS OF THE WORK 5
1.3 STRUCTURE OF THE THESIS 6
1.4 REFERENCES 8
2 EXPERIMENTAL TECHNIQUE AND THEORY OF HYDROGEN BOND CORRELATION. 13
2.1 NMR SPECTROMETER AND THE LOW-TEMPERATURE TECHNIQUE 13
2.2 FREON SYNTHESIS AND PURIFICATION 14
2.3 THEORY OF HYDROGEN BOND CORRELATION 14
2.4 REFERENCES 22
3 NMR STUDY OF CONFORMATIONAL EXCHANGE AND GEOMETRIES OF INTRAMOLECULAR
HYDROGEN BONDS IN MONOANIONS OF SUCCINIC ACID AND DERIVATIVES. 25
3.1 INTRODUCTION 25
3.2 EXPERIMENTAL PROCEDURE 28
3.3 RESULTS 29
3.3.1 NMR SPECTRA 29
3.3.2 LINESHAPE ANALYSIS 33
3.4 DISSCUSSION 35
3.4.1 CONFORMATIONAL EXCHANGE IN MONOANIONS OF SUCCINIC, METHYLSUCCINIC
AND DIMETHYLSUCCINIC ACIDS 36
3.4.2 HYDROGEN BOND SYMMETRY IN 1-4 38
3.4.3 HYDROGEN BOND GEOMETRY IN 1-4 40
BIBLIOGRAFISCHE INFORMATIONEN HTTP://D-NB.INFO/1012819086
DIGITALISIERT DURCH
IMAGE 2
3.4.4 HYDROGEN BOND INTEGRITY DURING THE INTERNAL ISOMERISATION 41
3.5 SUMMARY 46
3.6 REFERENCES 47
4 H-BOND GEOMETRY AND PROTON TAUTOMERISM IN HOMO-CONJUGATED ANIONS OF
CARBOXYLIC ACIDS STUDIED BY H/D ISOTOPE EFFECTS IN 13C NMR 51
4.1 INTRODUCTION 51
4.2 EXPERIMENTAL PART 54
4.3 RESULTS 56
4.4 DISSCUSSION 61
4.4.1 SHAPE OF THE PROTON TRANSFER POTENTIAL 61
4.4.2 HYDROGEN BOND GEOMETRY 63
4.4.3 CORRELATION BETWEEN H/D IE ON ^* 3C AND H-BOND GEOMETRY 64
4.5 CONCLUSION 66
4.6 REFERENCES 68
APPENDIX I- VI
5 H-BOND CORRELATION IN CARBOXYLIC ACID DIMER: NMR EXPERIMENTAL DATA
AND THEORETICAL CALCULATION 71
5.1 H AND 13C NMR DATA OF CARBOXYLIC ACID DIMER 71
5.2 QM CALCULATION OF 2D SHIELDING SURFACE 75
5.3 H-BOND GEOMETRIES IN HH AND HD ISOTOPOLOGUES 79
5.4 COMBINING NMR DATA WITH QM CALCULATION RESULTS 81
5.5 CONCLUSION 83
5.6 REFERENCES 83
IMAGE 3
6 TRIMETHYLGLYCINE COMPLEXES WITH CARBOXYLIC ACIDS AND HF: SOLVATION BY
POLAR APROTIC SOLVENT. 85
6.1 INTRODUCTION 85
6.2 EXPERIMENTAL PROCEDURE 87
6.3 RESULTS 88
6.4 DISSCUSSION 90
6.4.1 SOLVATION OF THE BETAINE COMPLEXES BY POLAR SOLVENT 91
6.4.2 ESTIMATION OF THE H-BOND GEOMETRY FROM H-BOND CORRELATIONS 94
6.5 CONCLUSION 97
6.6 REFERENCES 98
7 NMR AND FT-IR STUDY OF 2-PYRIDONE ASSOCIATION IN CD 2C12. 101
7.1 INTRODUCTION 101
7.2 EXPERIMENTAL PART 103
7.3 RESULTS 104
7.3.1 HNMRSPECTRA 104
7.3.2 QUANTUM MECHANICAL CALCULATIONS 107
7.3.3 NMR SPECTRAL SIMULATIONS 108
7.3.4 FT-IR SPECTRA 109
7.4 DISCUSSION I LL
7.5 CONCLUSION 115
7.6 REFERENCES 116
IMAGE 4
8 PROTECTED ARGININE COMPLEXES WITH CARBOXYLIC ACIDS : N...H-O TYPE
HYDROGEN BOND AND POSITION OF THE COUNTERION. 121
8.1 INTRODUCTION 121
8.2 SAMPLE PREPARATION 123
8.3 RESULTS 124
8.3.1 COMPLEX OF PROTECTED ARGININE AND ACETATE 124
8.3.2 COMPLEX OF PROTECTED ARGININE AND DICHLOROACETATE 128
8.4 DISSCUSSION 131
8.5 CONCLUSION 133
8.6 REFERENCES 133
|
| any_adam_object | 1 |
| author | Guo, Jing |
| author_facet | Guo, Jing |
| author_role | aut |
| author_sort | Guo, Jing |
| author_variant | j g jg |
| building | Verbundindex |
| bvnumber | BV039109389 |
| ctrlnum | (OCoLC)918402462 (DE-599)DNB1012819086 |
| dewey-full | 541.226 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.226 |
| dewey-search | 541.226 |
| dewey-sort | 3541.226 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Biologie |
| format | Thesis Book |
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| isbn | 9783866649675 |
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| spelling | Guo, Jing Verfasser aut Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy by Jing Guo Berlin Mensch & Buch 2011 134 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Berlin, Freie Univ., Diss., 2011 Protonen-NMR-Spektroskopie (DE-588)4354421-6 gnd rswk-swf Deuterium-NMR-Spektroskopie (DE-588)4325480-9 gnd rswk-swf Wasserstoffbrückenbindung (DE-588)4064787-0 gnd rswk-swf Kohlenstoff-13-NMR-Spektroskopie (DE-588)4134384-0 gnd rswk-swf Nichtwässrige Lösung (DE-588)4171792-2 gnd rswk-swf Carbonsäuren (DE-588)4009464-9 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Carbonsäuren (DE-588)4009464-9 s Wasserstoffbrückenbindung (DE-588)4064787-0 s Nichtwässrige Lösung (DE-588)4171792-2 s Kohlenstoff-13-NMR-Spektroskopie (DE-588)4134384-0 s Deuterium-NMR-Spektroskopie (DE-588)4325480-9 s Protonen-NMR-Spektroskopie (DE-588)4354421-6 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022653141&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Guo, Jing Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy Protonen-NMR-Spektroskopie (DE-588)4354421-6 gnd Deuterium-NMR-Spektroskopie (DE-588)4325480-9 gnd Wasserstoffbrückenbindung (DE-588)4064787-0 gnd Kohlenstoff-13-NMR-Spektroskopie (DE-588)4134384-0 gnd Nichtwässrige Lösung (DE-588)4171792-2 gnd Carbonsäuren (DE-588)4009464-9 gnd |
| subject_GND | (DE-588)4354421-6 (DE-588)4325480-9 (DE-588)4064787-0 (DE-588)4134384-0 (DE-588)4171792-2 (DE-588)4009464-9 (DE-588)4113937-9 |
| title | Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy |
| title_auth | Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy |
| title_exact_search | Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy |
| title_full | Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy by Jing Guo |
| title_fullStr | Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy by Jing Guo |
| title_full_unstemmed | Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy by Jing Guo |
| title_short | Geometries of hydrogen Bonds involving carboxylate studied by low temperature liquid state 13 C NMR spectroscopy |
| title_sort | geometries of hydrogen bonds involving carboxylate studied by low temperature liquid state 13 c nmr spectroscopy |
| topic | Protonen-NMR-Spektroskopie (DE-588)4354421-6 gnd Deuterium-NMR-Spektroskopie (DE-588)4325480-9 gnd Wasserstoffbrückenbindung (DE-588)4064787-0 gnd Kohlenstoff-13-NMR-Spektroskopie (DE-588)4134384-0 gnd Nichtwässrige Lösung (DE-588)4171792-2 gnd Carbonsäuren (DE-588)4009464-9 gnd |
| topic_facet | Protonen-NMR-Spektroskopie Deuterium-NMR-Spektroskopie Wasserstoffbrückenbindung Kohlenstoff-13-NMR-Spektroskopie Nichtwässrige Lösung Carbonsäuren Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022653141&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT guojing geometriesofhydrogenbondsinvolvingcarboxylatestudiedbylowtemperatureliquidstate13cnmrspectroscopy |