Electrostatic interactions and aromaticity in group 1 and group 14 organometallics: a combined experimental and theoretical study of principles and applications
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
1997
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XII, 242 S. graph. Darst. |
Internformat
MARC
| LEADER | 00000nam a2200000 c 4500 | ||
|---|---|---|---|
| 001 | BV011237230 | ||
| 003 | DE-604 | ||
| 005 | 19971014 | ||
| 007 | t | ||
| 008 | 970310s1997 d||| m||| 00||| engod | ||
| 016 | 7 | |a 950054399 |2 DE-101 | |
| 035 | |a (OCoLC)258137240 | ||
| 035 | |a (DE-599)BVBBV011237230 | ||
| 040 | |a DE-604 |b ger |e rakddb | ||
| 041 | 0 | |a eng | |
| 049 | |a DE-29 |a DE-29T |a DE-12 |a DE-355 |a DE-83 |a DE-188 | ||
| 084 | |a VH 9700 |0 (DE-625)147384:253 |2 rvk | ||
| 100 | 1 | |a Goldfuß, Bernd |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Electrostatic interactions and aromaticity in group 1 and group 14 organometallics |b a combined experimental and theoretical study of principles and applications |c von Bernd Goldfuß |
| 264 | 1 | |c 1997 | |
| 300 | |a XII, 242 S. |b graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 502 | |a Erlangen-Nürnberg, Univ., Diss., 1997 | ||
| 650 | 0 | 7 | |a Elektrostatische Wechselwirkung |0 (DE-588)4329545-9 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Metallorganische Verbindungen |0 (DE-588)4038906-6 |2 gnd |9 rswk-swf |
| 655 | 7 | |0 (DE-588)4113937-9 |a Hochschulschrift |2 gnd-content | |
| 689 | 0 | 0 | |a Metallorganische Verbindungen |0 (DE-588)4038906-6 |D s |
| 689 | 0 | 1 | |a Elektrostatische Wechselwirkung |0 (DE-588)4329545-9 |D s |
| 689 | 0 | |5 DE-604 | |
| 856 | 4 | 2 | |m DNB Datenaustausch |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=007541480&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 943 | 1 | |a oai:aleph.bib-bvb.de:BVB01-007541480 | |
Datensatz im Suchindex
| _version_ | 1807865339155841024 |
|---|---|
| adam_text |
CONTENTS
1
GENERAL
INTRODUCTION
1
1.1
ELECTROSTATICS
IN
GROUP
1
ORGANOMETALLICS
1
1.1.1
THE
NATURE
OF
THE
M-C
BOND
1
1.1.2
ELECTROSTATIC
INTERACTIONS
BETWEEN
METALS
AND
NEUTRAL
ORGANIC
MOIETIES
7
1.2
AROMATICITY
IN
ORGANIC
AND
ORGANOMETALLIC
COMPOUNDS
12
1.2.1
AROMATICITY
AND
THE
CRITERIA
FOR
ITS
ASSESSMENT
12
1.2.2
HOW
SIMILAR
ARE
THE
HOMOLOGUES
C
AND
SI?
22
1.2.3
ORGANOMETALLIC
AROMATICITY:
AROMATIC
STRUCTURES
WITH HIGHER
HOMOLOGUES
OF
CARBON?
28
1.3
THE
AIM
OF
THIS
THESIS
33
1.4
REFERENCES
33
2
A
"LITHIUM
BONDED"
CYCLOPROPYL
EDGE:
THE
X-RAY
CRYSTAL
STRUCTURE
OF
[LI-O-C(ME)-(C-CHCH2CH2)216
42
2.1
INTRODUCTION
42
2.2
THE
X-RAY
CRYSTAL
STRUCTURE
OF
[LI-O-C(ME)-(C-CHCH2CH2)2]S
43
2.3
THE
CYCLOPROPANE
EDGE
AS
A
STRUCTURAL
PROBE
FOR
ELECTROSTATIC
INTERACTIONS
47
2.4
CONCLUSIONS
57
2.5
EXPERIMENTAL
SECTION
57
2.6
THEORETICAL
SECTION
59
2.7
REFERENCES
59
3
TT-BONDED
LITHIUMS
IN
THE
X-RAY
CRYSTAL
STRUCTURES
OF
[LI-C=C-SIME2-CGH4-OME]
6
AND
[LI-O-CMEJ-OC-HJG
64
3.1
INTRODUCTION
64
3.2
SYNTHESES
AND
X-RAY
CRYSTAL
STRUCTURES
OF
HOMO-LITHIUM
ACETYLENES
FEATURING
ELECTROSTATIC
TT-INTERACTIONS
67
3.3
STRUCTURAL,
ENERGETIC
AND
VIBRATIONAL
EFFECTS
OF
TT-INTERACTIONS
IN
ALKALI
METAL
ACETYLIDES
79
3.4
CONCLUSIONS
87
3.5
EXPERIMENTAL
SECTION
87
3.6
THEORETICAL
SECTION
89
3.7
REFERENCES
90
4
"LITHIO-PHOBIA"
OF
THIOPHENE
SULFUR
ATOMS
IN
THE
X-RAY
CRYSTAL
STRUCTURES
OF
[LI-O-SIME2-(2-C4H3S)]§
AND
[LI-O-CH(-I-PR)-(2-C
4
H
3
S)]
6
;
MODELS
FOR
ELECTROSTATIC
METAL-THIOPHENE
INTERACTIONS
94
4.1
INTRODUCTION
94
4.2
THE
X-RAY
CRYSTAL
STRUCTURES
OF
[LI-O-SIME2-(2-C4H3S)]G
AND
OF
[LI-O-CH(-I-PR)-(2-C
4
H
3
S)]
6
95
4.3
LITHIO-PHOBIA
OF
THE
SULFUR
ATOMS
IN
THIOPHENE
110
4.4
CONCLUSIONS
-
121
4.5
EXPERIMENTAL
SECTION
121
4.6
THEORETICAL
METHODS
123
4.7
REFERENCES
124
VIII
5
AGOSTIC
M-H
INTERACTIONS
IN
MEJSI(-H)-N(-M)-T-BU
(M
=
LI,
MGX)?
IR,
NMR
AND
X-RAY
CRYSTAL STRUCTURE
ANALYSES
128
5.1
INTRODUCTION
128
5.2
SYNTHESIS,
IR
AND
NMR-ANALYSES
OF
ME
2
SI(-H)-N(-LI)-T-BU
130
5.3
THE
X-RAY
CRYSTAL
STRUCTURE
OF
[ME2SI(-H)-N(-LI)-T-BU]3
135
5.4
COMPUTATIONAL
STUDIES
136
5.5
SYNTHESIS
AND
X-RAY
CRYSTAL
STRUCTURE
OF
[{ME2SI(-H)-N-T-BU)
2
MG]
2
138
5.6
CONCLUSIONS
139
5.7
EXPERIMENTAL
SECTION
140
5.8
COMPUTATIONAL
METHODS
141
5.9
REFERENCES
142
6
NEW
CHELATING
SILYLAMIDO
LIGANDS:
THE
X-RAY
CRYSTAL
STRUCTURES
OF
[LI-N-(T-BU)-SIME
2
-O-CGH4-X]
2
(X
=
OME,
NME
2
,
CH
2
NME
2
,
CF3)
AS
MODELS
FOR
THE
TRANSITION
STRUCTURES
OF
ORTHO-METALATION
REACTIONS
144
6.1
INTRODUCTION
144
6.2
SYNTHESES
OF
CHELATING
SILYL
AMIDES
146
6.3
THE
X-RAY
CRYSTAL
STRUCTURES
OF
[LI-N-(T-BU)-SIME
2
-O-C§H4-X]
2
(X
=
OME,NME
2
,CH
2
NME
2
,CF
3
) 146
6.4
COMPUTATIONAL
MODELS
154
6.5
X-RAY
CRYSTAL
STRUCTURES
OF
MAGNESIUM
DERIVATIVES
157
6.6
CONCLUSIONS
158
6.7
EXPERIMENTAL
SECTION
159
6.8
COMPUTATIONAL
METHODS
162
6.9
REFERENCES
162
IX
7.
THE
SILOLYL
ANION
C4H4SIH"
IS
AROMATIC
AND
THE
LITHIUM
SILOLIDE
C4H4SIHLI
EVEN
MORE
SO
164
7.1
INTRODUCTION
164
7.2
THE
AROMATICITY
IN
SILOLIDE
C4H4SIH
'
AND
LITHIUM
SILOLIDE
C4H4SIHLI
165
7.3
CONCLUSIONS
170
7.4
COMPUTATIONAL
SECTION
170
7.5
REFERENCES
171
8.6
REFERENCES
186
8.
AROMATICITY
IN
SILOLE
DIANIONS:
STRUCTURAL,
ENERGETIC
AND
MAGNETIC
ASPECTS
173
8.1
INTRODUCTION
173
8.2
AROMATICITY
IN
SILOLE
DIANIONS
177
8.3
CONCLUSIONS
184
8.4
EXPERIMENTAL
SECTION
184
8.5
THEORETICAL
SECTION
185
9
AROMATICITY
IN
GROUP
14
METALLOLES:
STRUCTURAL,
ENERGETIC
AND
MAGNETIC
CRITERIA
189
9.1
INTRODUCTION
189
9.2
STRUCTURES
AND
ENERGIES
193
9.3
MAGNETIC
CRITERIA
210
9.4
CONCLUSIONS
216
9.5
COMPUTATIONAL
DETAILS
216
9.6
APPENDIX:
COMPUTED
MAGNETIC
SUSCEPTIBILITIES
217
9.7
REFERENCES
218
10
ZUSAMMENFASSUNG
222
X
228
11
APPENDIX:
FORTRAN
PROGRAM
SOURCE
CODES
11.1
THE
INTERCONVERSION
OF
STRUCTURAL
DATA
FROM
GAUSSIAN
94(96)
TO
PLUTON(92)
228
11.2
THE
INTERCONVERSION
OF
ELECTROSTATIC
POTENTIAL
DATA
FROM
GAUSSIAN
94(96)
TO
GNUPLOT3.0
230
12
PUBLICATIONS
237
13
CONFERENCE
CONTRIBUTIONS
239
14
LEBENSLAUF
241
XI |
| any_adam_object | 1 |
| author | Goldfuß, Bernd |
| author_facet | Goldfuß, Bernd |
| author_role | aut |
| author_sort | Goldfuß, Bernd |
| author_variant | b g bg |
| building | Verbundindex |
| bvnumber | BV011237230 |
| classification_rvk | VH 9700 |
| ctrlnum | (OCoLC)258137240 (DE-599)BVBBV011237230 |
| discipline | Chemie / Pharmazie |
| format | Thesis Book |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>00000nam a2200000 c 4500</leader><controlfield tag="001">BV011237230</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">19971014</controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">970310s1997 d||| m||| 00||| engod</controlfield><datafield tag="016" ind1="7" ind2=" "><subfield code="a">950054399</subfield><subfield code="2">DE-101</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)258137240</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BVBBV011237230</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-29</subfield><subfield code="a">DE-29T</subfield><subfield code="a">DE-12</subfield><subfield code="a">DE-355</subfield><subfield code="a">DE-83</subfield><subfield code="a">DE-188</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">VH 9700</subfield><subfield code="0">(DE-625)147384:253</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Goldfuß, Bernd</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Electrostatic interactions and aromaticity in group 1 and group 14 organometallics</subfield><subfield code="b">a combined experimental and theoretical study of principles and applications</subfield><subfield code="c">von Bernd Goldfuß</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">1997</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">XII, 242 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="502" ind1=" " ind2=" "><subfield code="a">Erlangen-Nürnberg, Univ., Diss., 1997</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Elektrostatische Wechselwirkung</subfield><subfield code="0">(DE-588)4329545-9</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Metallorganische Verbindungen</subfield><subfield code="0">(DE-588)4038906-6</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="655" ind1=" " ind2="7"><subfield code="0">(DE-588)4113937-9</subfield><subfield code="a">Hochschulschrift</subfield><subfield code="2">gnd-content</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Metallorganische Verbindungen</subfield><subfield code="0">(DE-588)4038906-6</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="1"><subfield code="a">Elektrostatische Wechselwirkung</subfield><subfield code="0">(DE-588)4329545-9</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">DNB 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=007541480&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA</subfield><subfield code="3">Inhaltsverzeichnis</subfield></datafield><datafield tag="943" ind1="1" ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-007541480</subfield></datafield></record></collection> |
| genre | (DE-588)4113937-9 Hochschulschrift gnd-content |
| genre_facet | Hochschulschrift |
| id | DE-604.BV011237230 |
| illustrated | Illustrated |
| indexdate | 2024-08-20T00:45:41Z |
| institution | BVB |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-007541480 |
| oclc_num | 258137240 |
| open_access_boolean | |
| owner | DE-29 DE-29T DE-12 DE-355 DE-BY-UBR DE-83 DE-188 |
| owner_facet | DE-29 DE-29T DE-12 DE-355 DE-BY-UBR DE-83 DE-188 |
| physical | XII, 242 S. graph. Darst. |
| publishDate | 1997 |
| publishDateSearch | 1997 |
| publishDateSort | 1997 |
| record_format | marc |
| spelling | Goldfuß, Bernd Verfasser aut Electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications von Bernd Goldfuß 1997 XII, 242 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Erlangen-Nürnberg, Univ., Diss., 1997 Elektrostatische Wechselwirkung (DE-588)4329545-9 gnd rswk-swf Metallorganische Verbindungen (DE-588)4038906-6 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Metallorganische Verbindungen (DE-588)4038906-6 s Elektrostatische Wechselwirkung (DE-588)4329545-9 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=007541480&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Goldfuß, Bernd Electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications Elektrostatische Wechselwirkung (DE-588)4329545-9 gnd Metallorganische Verbindungen (DE-588)4038906-6 gnd |
| subject_GND | (DE-588)4329545-9 (DE-588)4038906-6 (DE-588)4113937-9 |
| title | Electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications |
| title_auth | Electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications |
| title_exact_search | Electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications |
| title_full | Electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications von Bernd Goldfuß |
| title_fullStr | Electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications von Bernd Goldfuß |
| title_full_unstemmed | Electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications von Bernd Goldfuß |
| title_short | Electrostatic interactions and aromaticity in group 1 and group 14 organometallics |
| title_sort | electrostatic interactions and aromaticity in group 1 and group 14 organometallics a combined experimental and theoretical study of principles and applications |
| title_sub | a combined experimental and theoretical study of principles and applications |
| topic | Elektrostatische Wechselwirkung (DE-588)4329545-9 gnd Metallorganische Verbindungen (DE-588)4038906-6 gnd |
| topic_facet | Elektrostatische Wechselwirkung Metallorganische Verbindungen Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=007541480&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT goldfußbernd electrostaticinteractionsandaromaticityingroup1andgroup14organometallicsacombinedexperimentalandtheoreticalstudyofprinciplesandapplications |