The role of the solvent in chemical reactions:
Gespeichert in:
| Hauptverfasser: | , , |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Oxford [u.a.]
Oxford Univ. Press
2003
|
| Ausgabe: | 1. publ. |
| Schriftenreihe: | Oxford chemistry masters
6 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | IX, 159 S. graph. Darst. |
| ISBN: | 0198527608 0198511000 |
Internformat
MARC
| LEADER | 00000nam a2200000zcb4500 | ||
|---|---|---|---|
| 001 | BV014807594 | ||
| 003 | DE-604 | ||
| 005 | 20050411 | ||
| 007 | t | ||
| 008 | 021015s2003 d||| |||| 00||| eng d | ||
| 010 | |a 2002038142 | ||
| 020 | |a 0198527608 |9 0-19-852760-8 | ||
| 020 | |a 0198511000 |9 0-19-851100-0 | ||
| 035 | |a (OCoLC)50773243 | ||
| 035 | |a (DE-599)BVBBV014807594 | ||
| 040 | |a DE-604 |b ger |e aacr | ||
| 041 | 0 | |a eng | |
| 049 | |a DE-20 |a DE-91G |a DE-703 |a DE-19 | ||
| 050 | 0 | |a QD543 | |
| 082 | 0 | |a 541.3/4 |2 21 | |
| 084 | |a VE 5800 |0 (DE-625)147124:253 |2 rvk | ||
| 084 | |a CHE 168f |2 stub | ||
| 100 | 1 | |a Buncel, Erwin |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a The role of the solvent in chemical reactions |c E. Buncel, R. A. Stairs and H. Wilson |
| 250 | |a 1. publ. | ||
| 264 | 1 | |a Oxford [u.a.] |b Oxford Univ. Press |c 2003 | |
| 300 | |a IX, 159 S. |b graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 1 | |a Oxford chemistry masters |v 6 | |
| 650 | 7 | |a Chemometrie |2 gtt | |
| 650 | 7 | |a Intermoleculaire potentiaal |2 gtt | |
| 650 | 7 | |a Kwantumchemie |2 gtt | |
| 650 | 7 | |a Moleculaire dynamica |2 gtt | |
| 650 | 7 | |a Oplosmiddelen |2 gtt | |
| 650 | 7 | |a Reações químicas |2 larpcal | |
| 650 | 7 | |a Soluções |2 larpcal | |
| 650 | 7 | |a Solvente |2 larpcal | |
| 650 | 7 | |a Zuur-base-evenwicht |2 gtt | |
| 650 | 4 | |a Chemical reactions | |
| 650 | 4 | |a Solvation | |
| 650 | 0 | 7 | |a Chemische Reaktion |0 (DE-588)4009853-9 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Lösungsmitteleffekt |0 (DE-588)4168032-7 |2 gnd |9 rswk-swf |
| 689 | 0 | 0 | |a Lösungsmitteleffekt |0 (DE-588)4168032-7 |D s |
| 689 | 0 | 1 | |a Chemische Reaktion |0 (DE-588)4009853-9 |D s |
| 689 | 0 | |5 DE-604 | |
| 700 | 1 | |a Stairs, Robert A. |e Verfasser |4 aut | |
| 700 | 1 | |a Wilson, Harold |e Verfasser |4 aut | |
| 830 | 0 | |a Oxford chemistry masters |v 6 |w (DE-604)BV011573601 |9 6 | |
| 856 | 4 | 2 | |m HBZ Datenaustausch |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010019667&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-010019667 | ||
Datensatz im Suchindex
| _version_ | 1804129581068713984 |
|---|---|
| adam_text | Contents
Preface v
1 Introduction ]
1.1 Generalities 2
1.2 Classification of solvents 3
1.3 Some essential thermodynamics and kinetics:
tendency and rate 4
1.4 Equilibrium considerations 4
1.5 Thermodynamic transfer functions 6
1.6 Kinetics considerations: Collision theory 7
1.7 Transition-state theory 7
1.8 Reactions in solution 12
1.9 Diffusion-controlled reactions 12
1.10 Reactions in solution and the Transition-State Theory 13
Problems 16
2 The solvent as medium lg
2.1 Intermolecular potentials 18
2.2 Activity and equilibrium in non-electrolyte Solutions 19
2.3 Kinetic solvent effects 22
2.4 Polarity 24
2.5 Electrostatic forces 24
2.6 Electrolytes in solution 26
2.7 Solvation 29
2.8 Single ion solvation 31
2.9 Ionic association 32
2.10 Mixed solvents 37
2.11 Salt effects 41
Problems 42
3 The solvent as participant 44
3.1 Specific interactions 44
3.2 Hydrogen bonding 45
3.3 Acids and bases in solvents 45
3.4 Br0nsted-Lowry acids and bases 46
3.5 Acidity functions 48
3.6 General acid/base catalysis and the kinetic solvent
isotope effect 52
3.7 Lewis acids and bases 54
3.8 Hard and soft acids and bases ( HSAB ) 55
--- -.,- -i^mmmmB****
Contents
3.9 Scales of hardness/softness 56
3.10 Acids and bases in reactive aprotic solvents 60
3.11 Extremes of acidity and basicity 60
3.12 Oxidation and reduction 61
3.13 Acidity/redox diagrams 61
3.14 Unification of acid/base and redox concepts 63
Problems 63
4 Chemometrics: Empirical correlations of solvent effects 66
4.1 Linear free energy relationships 66
4.2 Coirelations between empirical parameters and
measurable solvent properties 68
4.3 Representation of correlation data on
the hemisphere 71
4.4 Some particular cases 73
4.5 Acidity and basicity parameters 77
4.6 Softness parameters 80
4.7 Conclusion 81
5 Theoretical calculations 83
5.1 Introduction: Modelling 83
5.2 Quantum-mechanical methods 84
5.2.1 Ab initio 84
5.2.2 Semi-empirical methods 88
5.2.3 Density-functional theory 88
5.2.4 The solvent as dielectric 89
5.3 Statistical-mechanical methods 90
5.4 Monte Carlo method 92
5.5 Molecular dynamics 94
5.6 Solvation calculations 94
5.7 Integral equation theories 94
5.8 Some results 95
5.8.1 Microsolvation 95
5.8.2 A classic reaction: The SN2 reaction,
gas-phase versus solution 97
5.8.3 Solvatochromism: Theoretical calculations 99
5.9 Hydrophobie solvation 101
Problem 103
6 Di polar aprotic solvents 104
6.1 Introduction 104
6.2 Acidities in DMSO and the H_ scale in DMSO-H2O mixtures 104
6.3 Use of thermodynamic transfer funetions 107
6.4 Classification of rate profile-medium effect reaction types 109
6.5 Bimolecular nucleophilic Substitution 111
Contents ix
6.6 Proton transfer 113
6.7 D2-OH exchange 114
7 Some other examples: Acidic, basic, chiral,
solvents; ionic liquids, green chemistry 116
7.1 Introduction 116
7.2 Acidic solvents 116
7.2.1 An acidic solvent; hydrogen fluoride 116
7.2.2 Reactions in hydrogen fluoride 117
7.2.3 Electrochemistry in hydrogen fluoride 118
7.3 Basic solvents 118
7.3.1 A basic solvent, ammonia 118
7.3.2 A basic solvent, pyridine 120
7.4 Chiral solvents 121
7.5 Ionic liquids 122
7.5.1 Reactions in ionic liquids; green chemistry 124
8 Concluding observations 128
8.1 Choosing a solvent 128
8.2 Envoi 129
Appendix 131
References 138
Index 151
|
| any_adam_object | 1 |
| author | Buncel, Erwin Stairs, Robert A. Wilson, Harold |
| author_facet | Buncel, Erwin Stairs, Robert A. Wilson, Harold |
| author_role | aut aut aut |
| author_sort | Buncel, Erwin |
| author_variant | e b eb r a s ra ras h w hw |
| building | Verbundindex |
| bvnumber | BV014807594 |
| callnumber-first | Q - Science |
| callnumber-label | QD543 |
| callnumber-raw | QD543 |
| callnumber-search | QD543 |
| callnumber-sort | QD 3543 |
| callnumber-subject | QD - Chemistry |
| classification_rvk | VE 5800 |
| classification_tum | CHE 168f |
| ctrlnum | (OCoLC)50773243 (DE-599)BVBBV014807594 |
| dewey-full | 541.3/4 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.3/4 |
| dewey-search | 541.3/4 |
| dewey-sort | 3541.3 14 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik Chemie |
| edition | 1. publ. |
| format | Book |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>02138nam a2200589zcb4500</leader><controlfield tag="001">BV014807594</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">20050411 </controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">021015s2003 d||| |||| 00||| eng d</controlfield><datafield tag="010" ind1=" " ind2=" "><subfield code="a">2002038142</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">0198527608</subfield><subfield code="9">0-19-852760-8</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">0198511000</subfield><subfield code="9">0-19-851100-0</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)50773243</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BVBBV014807594</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-604</subfield><subfield code="b">ger</subfield><subfield code="e">aacr</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-20</subfield><subfield code="a">DE-91G</subfield><subfield code="a">DE-703</subfield><subfield code="a">DE-19</subfield></datafield><datafield tag="050" ind1=" " ind2="0"><subfield code="a">QD543</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">541.3/4</subfield><subfield code="2">21</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">VE 5800</subfield><subfield code="0">(DE-625)147124:253</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">CHE 168f</subfield><subfield code="2">stub</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Buncel, Erwin</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">The role of the solvent in chemical reactions</subfield><subfield code="c">E. Buncel, R. A. Stairs and H. Wilson</subfield></datafield><datafield tag="250" ind1=" " ind2=" "><subfield code="a">1. publ.</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Oxford [u.a.]</subfield><subfield code="b">Oxford Univ. Press</subfield><subfield code="c">2003</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">IX, 159 S.</subfield><subfield code="b">graph. Darst.</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="490" ind1="1" ind2=" "><subfield code="a">Oxford chemistry masters</subfield><subfield code="v">6</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Chemometrie</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Intermoleculaire potentiaal</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Kwantumchemie</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Moleculaire dynamica</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Oplosmiddelen</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Reações químicas</subfield><subfield code="2">larpcal</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Soluções</subfield><subfield code="2">larpcal</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Solvente</subfield><subfield code="2">larpcal</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Zuur-base-evenwicht</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Chemical reactions</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Solvation</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Chemische Reaktion</subfield><subfield code="0">(DE-588)4009853-9</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Lösungsmitteleffekt</subfield><subfield code="0">(DE-588)4168032-7</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Lösungsmitteleffekt</subfield><subfield code="0">(DE-588)4168032-7</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="1"><subfield code="a">Chemische Reaktion</subfield><subfield code="0">(DE-588)4009853-9</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Stairs, Robert A.</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wilson, Harold</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="830" ind1=" " ind2="0"><subfield code="a">Oxford chemistry masters</subfield><subfield code="v">6</subfield><subfield code="w">(DE-604)BV011573601</subfield><subfield code="9">6</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">HBZ Datenaustausch</subfield><subfield code="q">application/pdf</subfield><subfield code="u">http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010019667&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA</subfield><subfield code="3">Inhaltsverzeichnis</subfield></datafield><datafield tag="999" ind1=" " ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-010019667</subfield></datafield></record></collection> |
| id | DE-604.BV014807594 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T19:07:24Z |
| institution | BVB |
| isbn | 0198527608 0198511000 |
| language | English |
| lccn | 2002038142 |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-010019667 |
| oclc_num | 50773243 |
| open_access_boolean | |
| owner | DE-20 DE-91G DE-BY-TUM DE-703 DE-19 DE-BY-UBM |
| owner_facet | DE-20 DE-91G DE-BY-TUM DE-703 DE-19 DE-BY-UBM |
| physical | IX, 159 S. graph. Darst. |
| publishDate | 2003 |
| publishDateSearch | 2003 |
| publishDateSort | 2003 |
| publisher | Oxford Univ. Press |
| record_format | marc |
| series | Oxford chemistry masters |
| series2 | Oxford chemistry masters |
| spelling | Buncel, Erwin Verfasser aut The role of the solvent in chemical reactions E. Buncel, R. A. Stairs and H. Wilson 1. publ. Oxford [u.a.] Oxford Univ. Press 2003 IX, 159 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Oxford chemistry masters 6 Chemometrie gtt Intermoleculaire potentiaal gtt Kwantumchemie gtt Moleculaire dynamica gtt Oplosmiddelen gtt Reações químicas larpcal Soluções larpcal Solvente larpcal Zuur-base-evenwicht gtt Chemical reactions Solvation Chemische Reaktion (DE-588)4009853-9 gnd rswk-swf Lösungsmitteleffekt (DE-588)4168032-7 gnd rswk-swf Lösungsmitteleffekt (DE-588)4168032-7 s Chemische Reaktion (DE-588)4009853-9 s DE-604 Stairs, Robert A. Verfasser aut Wilson, Harold Verfasser aut Oxford chemistry masters 6 (DE-604)BV011573601 6 HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010019667&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Buncel, Erwin Stairs, Robert A. Wilson, Harold The role of the solvent in chemical reactions Oxford chemistry masters Chemometrie gtt Intermoleculaire potentiaal gtt Kwantumchemie gtt Moleculaire dynamica gtt Oplosmiddelen gtt Reações químicas larpcal Soluções larpcal Solvente larpcal Zuur-base-evenwicht gtt Chemical reactions Solvation Chemische Reaktion (DE-588)4009853-9 gnd Lösungsmitteleffekt (DE-588)4168032-7 gnd |
| subject_GND | (DE-588)4009853-9 (DE-588)4168032-7 |
| title | The role of the solvent in chemical reactions |
| title_auth | The role of the solvent in chemical reactions |
| title_exact_search | The role of the solvent in chemical reactions |
| title_full | The role of the solvent in chemical reactions E. Buncel, R. A. Stairs and H. Wilson |
| title_fullStr | The role of the solvent in chemical reactions E. Buncel, R. A. Stairs and H. Wilson |
| title_full_unstemmed | The role of the solvent in chemical reactions E. Buncel, R. A. Stairs and H. Wilson |
| title_short | The role of the solvent in chemical reactions |
| title_sort | the role of the solvent in chemical reactions |
| topic | Chemometrie gtt Intermoleculaire potentiaal gtt Kwantumchemie gtt Moleculaire dynamica gtt Oplosmiddelen gtt Reações químicas larpcal Soluções larpcal Solvente larpcal Zuur-base-evenwicht gtt Chemical reactions Solvation Chemische Reaktion (DE-588)4009853-9 gnd Lösungsmitteleffekt (DE-588)4168032-7 gnd |
| topic_facet | Chemometrie Intermoleculaire potentiaal Kwantumchemie Moleculaire dynamica Oplosmiddelen Reações químicas Soluções Solvente Zuur-base-evenwicht Chemical reactions Solvation Chemische Reaktion Lösungsmitteleffekt |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010019667&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV011573601 |
| work_keys_str_mv | AT buncelerwin theroleofthesolventinchemicalreactions AT stairsroberta theroleofthesolventinchemicalreactions AT wilsonharold theroleofthesolventinchemicalreactions |