Structural theory of organic chemistry:
Saved in:
| Format: | Book |
|---|---|
| Language: | English |
| Published: |
Berlin
Springer
1977
|
| Series: | Topics in current chemistry
70 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | VIII, 250 S. Ill., graph. Darst. |
| ISBN: | 3540080996 0387080996 |
Staff View
MARC
| LEADER | 00000nam a2200000 cb4500 | ||
|---|---|---|---|
| 001 | BV001975153 | ||
| 003 | DE-604 | ||
| 005 | 20180820 | ||
| 007 | t | ||
| 008 | 890928s1977 ad|| |||| 00||| eng d | ||
| 020 | |a 3540080996 |9 3-540-08099-6 | ||
| 020 | |a 0387080996 |9 0-387-08099-6 | ||
| 035 | |a (OCoLC)2695089 | ||
| 035 | |a (DE-599)BVBBV001975153 | ||
| 040 | |a DE-604 |b ger |e rakddb | ||
| 041 | 0 | |a eng | |
| 049 | |a DE-91G |a DE-355 |a DE-703 |a DE-29T |a DE-19 |a DE-11 |a DE-188 |a DE-83 | ||
| 050 | 0 | |a QD1 | |
| 082 | 0 | |a 540/.8 | |
| 082 | 0 | |a 547/.1/28 | |
| 084 | |a VA 1110 |0 (DE-625)146971: |2 rvk | ||
| 245 | 1 | 0 | |a Structural theory of organic chemistry |c N. D. Epiotis ... |
| 264 | 1 | |a Berlin |b Springer |c 1977 | |
| 300 | |a VIII, 250 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 1 | |a Topics in current chemistry |v 70 | |
| 650 | 7 | |a Organische chemie |2 gtt | |
| 650 | 7 | |a Structuur-activiteit-relatie |2 gtt | |
| 650 | 4 | |a Chemistry, Organic | |
| 650 | 4 | |a Molecular Conformation | |
| 650 | 4 | |a Molecular orbitals | |
| 650 | 4 | |a Physical organic chemistry | |
| 650 | 0 | 7 | |a Strukturchemie |0 (DE-588)4183790-3 |2 gnd |9 rswk-swf |
| 689 | 0 | 0 | |a Strukturchemie |0 (DE-588)4183790-3 |D s |
| 689 | 0 | |5 DE-604 | |
| 700 | 1 | |a Epiotis, N. D. |d 1944- |e Sonstige |0 (DE-588)172063817 |4 oth | |
| 830 | 0 | |a Topics in current chemistry |v 70 |w (DE-604)BV002530870 |9 70 | |
| 856 | 4 | 2 | |m HEBIS Datenaustausch Darmstadt |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001288258&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-001288258 | ||
Record in the Search Index
| _version_ | 1804116419538845696 |
|---|---|
| adam_text | 70 TOPICS IN CURRENT CHEMISTRY FORTSCHRITTE DER CHEMISCHEN FORSCHUNG
STRUCTURAL THEORY OF ORGANIC CHEMISTRY N. D. EPIOTIS W. R. CHERRY S.
SHAIK R. YATES F. BEMARDI SPRINGER-VERLAG BERLIN HEIDELBERG NEW YORK
1977 CONTENTS INTRODUCTION 1 PARTI. THEORY 3 1. GENERAL THEORY 3 1.1.
ORBITAL ENERGIES AND INTERACTION MATRIX ELEMENTS 7 V 1.2. THE CONCEPT OF
MATRIX ELEMENT AND ENERGY GAP CONTROLLED ORBITAL INTERACTIONS 17 I 1.3.
EXAMPLES OF MATRIX ELEMENT CONTROL OF ORBITAL INTERACTIONS . . . . 19 (
1.4. COMPUTATIONAL TESTS OF THE OEMO APPROACH 20 I PART II. NONBONDED
INTERACTIONS 23 2. THEORY OF NONBONDED INTERACTIONS 23 2.1. PI NONBONDED
INTERACTIONS AND PI AROMATIC, NONAROMATIC, AND ANTIAROMATIC GEOMETRIES
23 2.2. SIGMA NONBONDED INTERACTIONS 36 2.3. INDICES OF NONBONDED AND
STERIC INTERACTIONS 40 3. THE EFFECT OF NONBONDED INTERACTIONS ON
MOLECULAR STRUCTURE . . . 48 3.1. NONBONDED INTERACTION CONTROL OF THE
XCX ANGLE IN X 2 CH 2 AND X 2 C=Y MOLECULES 49 3.2. CONFORMATIONAL
ISOMERISM OF CH3CH3 AND CH 2 XCH 2 X MOLECULES . 54 3.3. CONFORMATIONAL
ISOMERISM OF X4Y 2 AND X 2 H 2 Y 2 MOLECULES . . . 62 I- 3.4.
CONFORMATIONAL ISOMERISM OF X-Y-Y-X AND W-X-Y-Z MOLECULES. 64 3.5.
CONFORMATIONAL ISOMERISM OF CH 3 CH=X MOLECULES 66 3.6. TORSIONAL
ISOMERISM OF CHX=CHX AND CHX=CHY MOLECULES . . . 69 3.7. TORSIONAL
ISOMERISM OF CH 3 CH=CHX MOLECULES 74 . 3.8. TORSIONAL ISOMERISM OF
CXY=CXY MOLECULES 77 3.9. CONFORMATIONAL ISOMERISM OF CH 3 COX MOLECULES
81 3.10. CONFORMATIONAL ISOMERISM OF XCH 2 COY MOLECULES 85 3.11.
CONFORMATIONAL ISOMERISM OF R*X*R MOLECULES 85 3.12. CONFORMATIONAL
ISOMERISM OF R*X*R MOLECULES . 91 L 3.13. TORSIONAL ISOMERISM OF
CATIONS AND ANIONS 95 3.14. TORSIONAL ISOMERISM OF SUBSTITUTED BENZENES
99 1 3.15. CONFORMATIONAL ISOMERISM OF DIENE SYSTEMS . . . . * 102 3.16.
NONBONDED INTERACTIONS IN PEPTIDES AND POLYPEPTIDES 108 3.17. TORSIONAL
ISOMERISM IN RING SYSTEMS 110 3.18. THE CONCEPT OF THE ISOCONJUGATE
SERIES 114 3.19. ASSORTED SYSTEMS 114 VII CONTENTS 4. TESTS OF NONBONDED
INTERACTIONS 115 4.1. PHYSICAL MANIFESTATIONS OF NONBONDED INTERACTIONS
115 4.2. SPECTROSCOPIC PROBES OF NONBONDED INTERACTIONS 123 4.3.
REACTIVITY PROBES OF NONBONDED INTERACTIONS 126 PART III. GEMINAL
INTERACTIONS 131 5. DEFINITIONS 131 5.1. THEORY OF LONE PAIR-SIGMA BOND
GEMINAL INTERACTIONS 131 5.2. THEPYRAMIDALITYOF AX 3 MOLECULES 140 5.3.
MISCELLANEOUS PROBLEMS 143 PART IV. CONJUGATIVE INTERACTIONS 147 6.
DONOR AND ACCEPTOR MOLECULAR FRAGMENTS AND THE QUESTION OF SYN VS. ANTI
OVERLAP 147 7. STRUCTURAL EFFECTS OF N-N, A-N, AND TT-TT INTERACTIONS
156 7.1. N-N INTERACTIONS 156 7.2. A-7R INTERACTIONS -157 7.3. A-P +
INTERACTIONS 158 7.4. TT-TT INTERACTIONS 160 7.5. COMPETITIVE N-IR,
O-TT, AND TC-TT EFFECTS 160 8. TESTS OF N-TI,A-IR, AND TT-TT
INTERACTIONS 161 8.1. PHYSICAL MANIFESTATIONS OF N-N, O-TT, AND IT-IT
INTERACTIONS 161 8.2. SPECTROSCOPIC PROBES OF N-N, O-TT AND TT-TT
INTERACTIONS 162 8.3. REACTIVITY 163 9. STRUCTURAL EFFECTS OF N-O
INTERACTIONS 163 9.1. POSSIBLE EXAMPLES OF MATRIX ELEMENT CONTROL OF N-A
INTERACTIONS . . 182 10. TESTS OF N-A INTERACTIONS 183 10.1.
SPECTROSCOPIC PROBES OF N-A INTERACTIONS 183 10.2. REACTIVITY PROBES OF
N-A INTERACTIONS 185 11. STRUCTURAL EFFECTS OF A-A INTERACTIONS 189 PART
V. BOND IONICITY EFFECTS 199 12. THEORY 199 12.1. THE LCFC APPROACH TO
GEMINAL INTERACTIONS 201 12.2. STRUCTURAL ISOMERISM 207 12.3. BOND
STRENGTHS 215 12.4. VALENCE ISOMERISM 217 13. OTHER APPROACHES 219 14.
CONCLUSION . : 229 REFERENCES 223 AUTHOR INDEX 243 VIII
|
| any_adam_object | 1 |
| author_GND | (DE-588)172063817 |
| building | Verbundindex |
| bvnumber | BV001975153 |
| callnumber-first | Q - Science |
| callnumber-label | QD1 |
| callnumber-raw | QD1 |
| callnumber-search | QD1 |
| callnumber-sort | QD 11 |
| callnumber-subject | QD - Chemistry |
| classification_rvk | VA 1110 |
| ctrlnum | (OCoLC)2695089 (DE-599)BVBBV001975153 |
| dewey-full | 540/.8 547/.1/28 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 540 - Chemistry and allied sciences 547 - Organic chemistry |
| dewey-raw | 540/.8 547/.1/28 |
| dewey-search | 540/.8 547/.1/28 |
| dewey-sort | 3540 18 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Book |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01705nam a2200457 cb4500</leader><controlfield tag="001">BV001975153</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">20180820 </controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">890928s1977 ad|| |||| 00||| eng d</controlfield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">3540080996</subfield><subfield code="9">3-540-08099-6</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">0387080996</subfield><subfield code="9">0-387-08099-6</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)2695089</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BVBBV001975153</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-604</subfield><subfield code="b">ger</subfield><subfield code="e">rakddb</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-91G</subfield><subfield code="a">DE-355</subfield><subfield code="a">DE-703</subfield><subfield code="a">DE-29T</subfield><subfield code="a">DE-19</subfield><subfield code="a">DE-11</subfield><subfield code="a">DE-188</subfield><subfield code="a">DE-83</subfield></datafield><datafield tag="050" ind1=" " ind2="0"><subfield code="a">QD1</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">540/.8</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">547/.1/28</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">VA 1110</subfield><subfield code="0">(DE-625)146971:</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Structural theory of organic chemistry</subfield><subfield code="c">N. D. Epiotis ...</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Berlin</subfield><subfield code="b">Springer</subfield><subfield code="c">1977</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">VIII, 250 S.</subfield><subfield code="b">Ill., 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">Topics in current chemistry</subfield><subfield code="v">70</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Organische chemie</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Structuur-activiteit-relatie</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Chemistry, Organic</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Molecular Conformation</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Molecular orbitals</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Physical organic chemistry</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Strukturchemie</subfield><subfield code="0">(DE-588)4183790-3</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Strukturchemie</subfield><subfield code="0">(DE-588)4183790-3</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">Epiotis, N. D.</subfield><subfield code="d">1944-</subfield><subfield code="e">Sonstige</subfield><subfield code="0">(DE-588)172063817</subfield><subfield code="4">oth</subfield></datafield><datafield tag="830" ind1=" " ind2="0"><subfield code="a">Topics in current chemistry</subfield><subfield code="v">70</subfield><subfield code="w">(DE-604)BV002530870</subfield><subfield code="9">70</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">HEBIS Datenaustausch Darmstadt</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=001288258&sequence=000001&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:BVB01-001288258</subfield></datafield></record></collection> |
| id | DE-604.BV001975153 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T15:38:13Z |
| institution | BVB |
| isbn | 3540080996 0387080996 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-001288258 |
| oclc_num | 2695089 |
| open_access_boolean | |
| owner | DE-91G DE-BY-TUM DE-355 DE-BY-UBR DE-703 DE-29T DE-19 DE-BY-UBM DE-11 DE-188 DE-83 |
| owner_facet | DE-91G DE-BY-TUM DE-355 DE-BY-UBR DE-703 DE-29T DE-19 DE-BY-UBM DE-11 DE-188 DE-83 |
| physical | VIII, 250 S. Ill., graph. Darst. |
| publishDate | 1977 |
| publishDateSearch | 1977 |
| publishDateSort | 1977 |
| publisher | Springer |
| record_format | marc |
| series | Topics in current chemistry |
| series2 | Topics in current chemistry |
| spelling | Structural theory of organic chemistry N. D. Epiotis ... Berlin Springer 1977 VIII, 250 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Topics in current chemistry 70 Organische chemie gtt Structuur-activiteit-relatie gtt Chemistry, Organic Molecular Conformation Molecular orbitals Physical organic chemistry Strukturchemie (DE-588)4183790-3 gnd rswk-swf Strukturchemie (DE-588)4183790-3 s DE-604 Epiotis, N. D. 1944- Sonstige (DE-588)172063817 oth Topics in current chemistry 70 (DE-604)BV002530870 70 HEBIS Datenaustausch Darmstadt application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001288258&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Structural theory of organic chemistry Topics in current chemistry Organische chemie gtt Structuur-activiteit-relatie gtt Chemistry, Organic Molecular Conformation Molecular orbitals Physical organic chemistry Strukturchemie (DE-588)4183790-3 gnd |
| subject_GND | (DE-588)4183790-3 |
| title | Structural theory of organic chemistry |
| title_auth | Structural theory of organic chemistry |
| title_exact_search | Structural theory of organic chemistry |
| title_full | Structural theory of organic chemistry N. D. Epiotis ... |
| title_fullStr | Structural theory of organic chemistry N. D. Epiotis ... |
| title_full_unstemmed | Structural theory of organic chemistry N. D. Epiotis ... |
| title_short | Structural theory of organic chemistry |
| title_sort | structural theory of organic chemistry |
| topic | Organische chemie gtt Structuur-activiteit-relatie gtt Chemistry, Organic Molecular Conformation Molecular orbitals Physical organic chemistry Strukturchemie (DE-588)4183790-3 gnd |
| topic_facet | Organische chemie Structuur-activiteit-relatie Chemistry, Organic Molecular Conformation Molecular orbitals Physical organic chemistry Strukturchemie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001288258&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV002530870 |
| work_keys_str_mv | AT epiotisnd structuraltheoryoforganicchemistry |