The Jahn Teller effect in C 60: theory and experimental evidences
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
München
Diss.-Verl. NG-Kopierladen
2000
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Einl. dt. und engl., Text engl., Abstract chin. |
| Beschreibung: | IV, 102 S. graph. Darst. |
| ISBN: | 393321467X |
Internformat
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| 100 | 1 | |a Bao, Jianren |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a The Jahn Teller effect in C 60 |b theory and experimental evidences |c von Jianren Bao |
| 246 | 1 | 3 | |a The Jahn-Teller effect in C 60 |
| 264 | 1 | |a München |b Diss.-Verl. NG-Kopierladen |c 2000 | |
| 300 | |a IV, 102 S. |b graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 500 | |a Einl. dt. und engl., Text engl., Abstract chin. | ||
| 502 | |a Zugl.: Bayreuth, Univ., Diss., 2000 | ||
| 650 | 0 | 7 | |a Jahn-Teller-Effekt |0 (DE-588)4162675-8 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Fullerenion |0 (DE-588)4419350-6 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Buckminsterfulleren |0 (DE-588)4363559-3 |2 gnd |9 rswk-swf |
| 655 | 7 | |0 (DE-588)4113937-9 |a Hochschulschrift |2 gnd-content | |
| 689 | 0 | 0 | |a Buckminsterfulleren |0 (DE-588)4363559-3 |D s |
| 689 | 0 | 1 | |a Fullerenion |0 (DE-588)4419350-6 |D s |
| 689 | 0 | 2 | |a Jahn-Teller-Effekt |0 (DE-588)4162675-8 |D s |
| 689 | 0 | |5 DE-604 | |
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| 943 | 1 | |a oai:aleph.bib-bvb.de:BVB01-009222769 | |
Datensatz im Suchindex
| _version_ | 1807229307784790016 |
|---|---|
| adam_text |
CONTENTS
EINLEITUNG
1
INTRODUCTION
3
1
GENERAL
CONSIDERATION
OF
VIBRONIC
INTERACTIONS
5
1.1
JUST
SYMMETRY
.
5
1.2
VIBRONIC
INTERACTIONS
.
6
1.2.1
BORN-OPPENHEIMER
APPROXIMATION
.
6
1.2.2
HARMONIC
APPROXIMATION
OF
VIBRONIC
INTERACTIONS
.
8
1.2.3
THE
JAHN-TELLER
THEOREM
.
11
1.2.4
SIMPLIFICATION
OF
THE
VIBRONIC
COUPLING
COEFFICIENTS
.
11
1.3
GEOMETRY
OF
CM
AND
THE
SYMMETRY
GROUP
.
13
2
JAHN-TELLER
DISTORTION
AND
SUBGROUP
16
2.1
INTRODUCTION
.
!
.
16
2.2
JAHN-TELLER
DISTORTION
.
20
2.3
TWO
THEOREMS
.
20
2.3.1
NORMAL
SUBGROUP
CASE
.
21
2.3.2
NON-NORMAL
SUBGROUP
CASE
.
22
2.4
DISCUSSION
.
23
2.4.1
ONE
SIMPLE
EXAMPLE:
SYMMETRY
C$
V
.
23
2.4.2
NORMAL
SUBGROUP
DISTORTION:
SUBGROUP
WITH
INDEX
2
.
23
2.4.3
NORMAL
SUBGROUP
DISTORTION:
SUBGROUP
WITH
INDEX
2
.
25
2.4.4
NON-NORMAL
SUBGROUP
DISTORTION:
SUBGROUP
WITH
INDEX
3
OR
4
.
.
.
25
2.4.5
NON-NORMAL
SUBGROUP
DISTORTION:
SUBGROUP
WITH
INDEX
5;
SIMPLE
GROUP
AND
ONE
SPECIAL
SIMPLE
GROUP:
AS
ICOSAHEDRAL
GROUP
I
.
.
26
2.5
CONCLUSION
.
27
II
CONTENTS
3
ELECTRONIC
STATES
AND
VIBRATIONS
28
3.1
ELECTRONIC
STATES
.
28
3.1.1
EXACT
CALCULATION
OF
HIICKEL
MODEL
BY
COMPUTER
.
29
3.1.2
CALCULATION
OF
HIICKEL
MODEL
WITH
SYMMETRY
CONSIDERATION
.
31
3.1.3
THE
"
PARTICLE-ON-A-SPHERE
MODEL"
.
34
3.1.4
MOPAC
CALCULATIONS
OF
CAO
.
34
3.1.5
THE
CONFIGURATION
OF
60
%-ELECTRONS
.
34
3.1.6
PUT
ONE
ADDITIONAL
ELECTRON
TO
C
M
.
36
3.2
VIBRATION
.
37
3.2.1
SYMMETRY
TYPES
OF
ALL
NORMAL
VIBRATIONAL
MODES
.
37
3.2.2
INFRARED
AND
RAMAN
ACTIVE
VIBRATIONS
.
38
3.2.3
SYMMETRY
COORDINATES
(SC)
.
38
3.2.4
CALCULATION
OF
THE
NORMAL
VIBRATIONAL
MODES
.
39
3.2.5
THE
CONTINUUM
SPHERICAL
SHELL
MODEL
AND
THE
LIQUID
DROP
MODEL
.
42
3.3
SIMILARITY
BETWEEN
CAO
AND
HEAVY
ATOM
.
43
4
TIU
H
G
JAHN-TELLER
EFFECT
IN
C^
44
4.1
JAHN-TELLER
DISTORTION
OF
C
M
.
44
4.2
LINEAR
TI
U
H
G
VIBRONIC
COUPLING
.
45
4.3
QUADRATIC
TIYY
H
G
VIBRONIC
COUPLING
.
48
5
C
M
*
CRYSTAL
SYSTEM
51
5.1
THE
CRYSTAL
STRUCTURE
.
51
5.2
ELECTRON
CONFIGURATION
OF
THE
[P^IJJCAOF
CRYSTAL
.
54
6
ELECTRON
SPIN
RESONANCE
(ESR)
55
6.1
TEMPERATURE
DEPENDENCE
.
55
6.2
ANGULAR
DEPENDENCE,
G-TENSOR
.
57
7
RAMAN
AND
INFRA-RED
SPECTRA
61
7.1
RAMAN
SPECTRA
.
61
7.2
INFRA-RED
SPECTRA
.
62
CONTENTS
III
8
DSC
AND
13
C-NMR
64
8.1
DIFFERENTIAL
SCANNING
CALORIMETRY
(DSC)
.
64
8.2
13
C-NUCLEAR
MAGNETIC
RESONANCE
(
13
C-NMR)
.
65
8.3
CONCLUSION
.
67
9
DISCUSSIONS
68
9.1
MEROHEDRAL
DISORDER
.
68
9.1.1
THE
CONCEPT
OF
MEROHEDRAL
DISORDER
.
68
9.1.2
MEROHEDRAL
DISORDER
IN
ESR
SPECTRA
.
69
9.2
CRYSTAL
FIELD
.
69
9.2.1
INTRODUCTION
.
69
9.2.2
SYMMETRY
RELATIONS
.
70
9.2.3
CALCULATION
OF
THE
CRYSTAL
FIELD
INTERACTION
.
70
9.3
EXPERIMENTAL
EVIDENCES
OF
THE
JAHN-TELLER
EFFECT
IN
C&
.
72
9.3.1
ESR
.
72
9.3.2
RAMAN
AND
INFRA-RED
SPECTRA
.
73
9.3.3
CONCLUSION
.
73
A
MATHEMATICAL
APPENDICES
74
A.L
CHARACTER
TABLE
.
74
A.2
CORRELATION
TABLE
.
77
A.3
ELEMENTS
OF
GROUP
I,
GENERATORS,
AND
TIME
TABLE
.
78
A.4
ROTATION
.
80
A.5
SOME
OPERATORS
RELATED
TO
THE
ROTATION
.
82
A.6
Y/
M
SPHERICAL
HARMONICS
AND
D
1
FUNCTION
.
84
A.7
REAL
BASES
AND
REAL
MATRIX
REPRESENTATION
.
87
A.8
LAPLACIAN
IN
5-DIMENSIONAL
(H)
REPRESENTATION
SPACE
.
88
A.9
MATRIX
FORMS
OF
ZDIFT
.
92
A.9.1
EXPRESSIONS
IN
XYZ
COORDINATE
SYSTEM
.
93
A.9.2
EXPRESSIONS
IN
XYZ
COORDINATE
SYSTEM
.
93
A.9.3
RELATION
BETWEEN
XYZ
AND
XYZ
COORDINATE
SYSTEM
.
94
BIBLIOGRAPHY
98
IV
PUBLICATIONS
ABBREVIATIONS
ACKNOWLEDGMENTS
CONTENTS
103
104
105 |
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| author_facet | Bao, Jianren |
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| id | DE-604.BV013509585 |
| illustrated | Illustrated |
| indexdate | 2024-08-13T00:16:12Z |
| institution | BVB |
| isbn | 393321467X |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-009222769 |
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| physical | IV, 102 S. graph. Darst. |
| publishDate | 2000 |
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| publisher | Diss.-Verl. NG-Kopierladen |
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| spelling | Bao, Jianren Verfasser aut The Jahn Teller effect in C 60 theory and experimental evidences von Jianren Bao The Jahn-Teller effect in C 60 München Diss.-Verl. NG-Kopierladen 2000 IV, 102 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Einl. dt. und engl., Text engl., Abstract chin. Zugl.: Bayreuth, Univ., Diss., 2000 Jahn-Teller-Effekt (DE-588)4162675-8 gnd rswk-swf Fullerenion (DE-588)4419350-6 gnd rswk-swf Buckminsterfulleren (DE-588)4363559-3 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Buckminsterfulleren (DE-588)4363559-3 s Fullerenion (DE-588)4419350-6 s Jahn-Teller-Effekt (DE-588)4162675-8 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009222769&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Bao, Jianren The Jahn Teller effect in C 60 theory and experimental evidences Jahn-Teller-Effekt (DE-588)4162675-8 gnd Fullerenion (DE-588)4419350-6 gnd Buckminsterfulleren (DE-588)4363559-3 gnd |
| subject_GND | (DE-588)4162675-8 (DE-588)4419350-6 (DE-588)4363559-3 (DE-588)4113937-9 |
| title | The Jahn Teller effect in C 60 theory and experimental evidences |
| title_alt | The Jahn-Teller effect in C 60 |
| title_auth | The Jahn Teller effect in C 60 theory and experimental evidences |
| title_exact_search | The Jahn Teller effect in C 60 theory and experimental evidences |
| title_full | The Jahn Teller effect in C 60 theory and experimental evidences von Jianren Bao |
| title_fullStr | The Jahn Teller effect in C 60 theory and experimental evidences von Jianren Bao |
| title_full_unstemmed | The Jahn Teller effect in C 60 theory and experimental evidences von Jianren Bao |
| title_short | The Jahn Teller effect in C 60 |
| title_sort | the jahn teller effect in c 60 theory and experimental evidences |
| title_sub | theory and experimental evidences |
| topic | Jahn-Teller-Effekt (DE-588)4162675-8 gnd Fullerenion (DE-588)4419350-6 gnd Buckminsterfulleren (DE-588)4363559-3 gnd |
| topic_facet | Jahn-Teller-Effekt Fullerenion Buckminsterfulleren Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009222769&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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