Vibrational spectra of polyatomic molecules: Transl. from Russian by IPST Staff
Gespeichert in:
| Hauptverfasser: | , , |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Jerusalem
Israel Program for Scientific Transl.
1974
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | EST: Kolebatel'nye spektry mnogoatomnych molekul (engl.) |
| Beschreibung: | XIII, 644 S. Ill., graph. Darst. |
| ISBN: | 0470838450 |
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| 245 | 1 | 0 | |a Vibrational spectra of polyatomic molecules |b Transl. from Russian by IPST Staff |c Lazar' Matveevič Sverdlov ; Michail Arkad'evič Kovner ; Evgenii Petrovič Krainov* |
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Datensatz im Suchindex
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| adam_text |
VIBRATIONAL SPECTRA OF
POLYATOMIC MOLECULES
L M SVERDLOV, M A KOVNER,
and E P KRAINOV
Translated from Russian by IPST Staff
A HALSTED PRESS BOOK
JOHN WILEY amp; SONS
New York • Toronto
ISRAEL PROGRAM FOR SCIENTIFIC TRANSLATIONS
Jerusalem • London
Contents
Preface xi
Chapter I THE MECHANICS OF MOLECULAR VIB RATIONS 1
1 A molecule as a dynamic system 1
1 1 The origin of molecular spectra (1) 1 2 Sma 11 oscillations in classical
mechanics (6) 1 3 The problem of small oscillati' 'ns in quantum mechan
ics (10)
2 Molecular symmetry Application of group tlieory to molecular
vibrations 11
2 1 Symmetry properties of molecules (11) 2 2 Symmetry types of
modes (13) 2 3 Symmetry coordinates (23) j
3 The matrix of kinematic coefficients and the kinetic energy matrix 26
3 1 Relation between natural vibrational coordinates and displacement of
atoms (26) 3 2 Derivation of a formula for the kinematic matrix ele
ments (29) 3 3 Working formulas for the kinematic coefficients (30)
3 4 Additional relations between the coordinates ( 14) 3 5 Introduction
of symmetry and additional relations in the kinemaiic matrix (35)
4 The matrix of force coefficients and the potential function of a
molecule 7 37
4 1 Types of molecular potential functions (37) -\ 7 Introduction of
the additional relations between vibrational coordinates and symmetry
considerations (39) 4 3 Induction coefficients and their properties
(41) 4 4 Anharmonicity (43)
5 Derivation and solution of secular equations Application of
computers 47
5 1 Various types of secular equations (47) 5 2 Derivation of the
secular equation and methods of solution (49) 5 3 Computer
applications (52)
6 Vibration modes and displacements of vibrating atoms 53
6 1 Normalization of modes (53) 6 2 Computation of the atomic
displacements (54) 6 3 Root-mean-square amplit ides and tempera
ture dependence (56) 6 4 Interpretation of vibrational spectra (59)
7 Characteristic vibrations 60
7 1 Characteristic frequencies (60) 7 2 Characteristic modes (61)
8 Isotopic effect Relationships between the normal frequencies of
a system of isotopic molecules , 62
8 1 Isotopic effect in molecular spectroscopy (62) 8 2 Order rule
(restriction of frequency shifts) (64) 8 3 Product rule (65) 8 4 Sum
rules (67) 8 5 Total isotopic rule (78) 8 6 The exact isotopic rule (80)
9 Methods of determination of force constants 84
9 1 Method using the isotopic effect (84) 9 2 Method using coriolis
constants (86) 9 3 Method using rms vibration amplitudes (88) 9 4
Derivatives of frequency with respect to force constants and the least
squares method (89) 9 5 Extension of force constants and induction
coefficients (91) 9 6 Quantum-mechanical computation of force
constants (93)
Chapter II THEORY OF INTENSITIES IN TH1 VIBRATIONAL SPECTRA
OF POLYATOMIC MOLECULES 96
10 Symmetry properties of molecules and selection rules in vibra
tional spectra 96
10 1 Fundamental frequencies (96) 10 2 Overtones and combina
tion frequencies Fermi resonance (104)
11 Valence-optical theory of intensities in vib rational spectra 105
11 1 Valence-optical theory (105) 11 2 Quantum-mechanical
treatment of dipole moments (108) 11 3 Generalized valence-
optical theory of intensities in IR spectra (11)-
12 Computation of the first derivatives of the dipole moment and the
polarizability tensor components with respect to the normal coordinates 111
dPdauv
12 1 Computation of and using the valence-optical coordinates
d Q i
(111) 12 2 Methods automatically allowing for the zero angular momen
tum (113) 12 3 Specimen computations ot the derivatives of the dipole
moment and polarizability tensor component with respect to the normal
coordinates (119)
13 Isofopic effect Relations for intensities in the vibrational spectra
of isotopic molecules 129
13 1 Relations for intensities in IR spectra (! 29) 13 2 Relations for
intensities in Raman spectra (133)
14 Calculation of the electro-optical parameters from experimental
polarizations and band intensities in vibraticnal spectra 137
14 1 The direct and the inverse electro-optii al problem (137) 14 2 The
number of electro-optical parameters obtained by solving the inverse
electro-optical problem (143) 14 3 Calculii tions of the electro-optical
parameters in the zero and first approximations of the valence-optical theory
for IR' intensities (149) 14 4 Calculations of the electro-optical parameters
in the zero and first approximations of the v; lence-optical theory for Raman
spectra (155)
15 The theory of characteristic intensities and polarizations in vibra
tional spectra of polyatomic molecules 158
16 Effect of temperature and state of aggregation on intensities in
vibrational spectra 164
17 The theory of line widths in Raman spectra 168
Chapter III VIBRATIONAL SPECTRA OF PA IIAFFINS 171
18 Methane and its isotopic derivatives 171
19 Ethane and its deuteroderivatives 179
vi
20 Propane and its deuteroderivatives Normal paraffins 183
20 1 Calculation and interpretation of the vibrational spectra of normal
paraffins (183) 20 2 Characteristic features of tho vibrational spectra
of n-paraffins (197) 20 3 Characteristic features if intensity distribu
tion in IR spectra of n-paraffins Sum rules for intensities, frequencies,
and squared frequencies (199) 20 4 Rotational isomerism of n-paraf
fins (202)
21 Isobutane and its deuteroderivatives Isopeniane 204
21 1 Isobutane (204) 21 2 Isopentane (205)
22 2,3-Dimethylbutane 210
23 Tetramethylmethane, tetramethylmethane-D 2, and other branched
paraffins 216
Chapter IV VIBRATIONAL SPECTRA OF NAPHTU ENES 219
24 Cyclopropane and cyclopropane-D6 219
25 Alkylcyclopropanes 221
26 Spiropentane 226
27 Cyclobutane 229
28 Cyclopentane and cyclopentane-D,0 232
29 Cyclohexane and cyclohexane-Dn 236
Chapter V VIBRATIONAL SPECTRA OF UNSATURATED HYDRO
CARBONS 242
30 Ethylene and its deuteroderivatives 242
31 Olefin hydrocarbons: propylene and its^deui ;roderivatives,
butene-1, isobutylene, trans-butene-2, cis-butene- ' , trimethyl-
ethylene, and tetramethylethylene 249
32 Characteristic bands in Raman and IR spectra of olefins 264
32 1 Groups of characteristic frequencies (264) :2 2 Characteristic
intensities in Raman spectra (269) 32 3 Charade istic intensities in
IR spectra (271)
33 Cycloolefins: cyclobutene, cyclobutene-Dg, and cyclopentene 276
34 Unsaturated hydrocarbons with two ethylene bonds: pentadiene-
1,4 and diallyl 282
35 Allenes: allene and deuteroallene, methylalkne, 1,1-dimethyl-
allene, butatriene 287
36 Vibrational spectra and rotational isomerism of 1,3-butadiene 297
37 Dienes: isoprene and piperylene 303
38 2,3-Dimethylbutadiene-l,3 309
39 Acetylene and its deuteroderivatives 314
40 Methylacetylene and its deuteroderivatives 1 imethylacetylene 317
41 Diacetylene and dimethyldiacetylene 319
vii
Chapter VI VIBRATIONAL SPECTRA OF AROMATIC HYDROCARBONS 324
42 Benzene and deuterobenzenes 324
43 Vibrational spectra of monoalkylbenzenes 331
43 1 Toluene and octadeuterotoluene (331) 43 2 General theory of
the vibrational spectra of monoalkylbenzenes (333)
44 Xylenes 337
44 1 p-Xylene (337) 44 2 m-Xylene (344) 44 3 o-Xylene (348)
45 Other methylbenzenes 350
45 1 Mesitylene, l,3,5-trimethylbenzene(350) 45 2 1,2,3-Trimethylbenzene
(353) 45 3 1,2,4-Trimethylbenzene(354) 45 4 Durene, 1,2,4,5-tetramethylben-
zene(354) 45 5 1,2,3,5-Tetramethylbenzene(3 56) 45 6 1,2,3,4 -Tetramethyl-
benzene(356) 45 7 Pentamethylbenzene(357) 45 8 Hexamethylbenzene(357)
46 General remarks concerning the vibrational spectra of methyl- and
alkylbenzenes 358
47 Diphenyl, deuterodiphenyls and polyphenyls 360
47 1 Diphenyl and deuterodiphenyls (360) 47 2 p-Polyphenyls (364)
48 Naphthalene and some deuteronaphthalenes 365
49 Anthracene and deuteroanthracene 373
Chapter VII VIBRATIONAL SPECTRA OF HALOGEN DERIVATIVES
OF THE PARAFFINS 378
50 Monohalogen-substituted methanes and i heir deuteroderivatives 378
51 Dihalogen-substituted methanes and their deuteroderivatives 383
52 Trihalogen-substituted methanes and their deuteroderivatives 386
53 Tetrahalogen-substituted methanes 390
54 Mixe amp; halogen derivatives of methane 392
55 Halogen-substituted ethanes of the types CH3—CX2Y, CX3—CXY2,
CH3-CX3 and C2X6 393
56 Halogen-substituted ethanes of types YX2C— CX2Y and
YX2C-CX2Z 398
Chapter VIII VIBRATIONAL SPECTRA OF HALOGEN DERIVATIVES
OF UNSATURATED HYDROCARBONS 414
57 Mono- and trihalogen-substituted ethylenes and their deutero
derivatives 414
58 Dihalogen-substituted ethylenes and their deuteroderivatives 426
59 Tetrafluoroethylene, tetrachloroethyleno, tetrabromoethylene 435
60 Chloroprene 442
61 Monohaloacetylenes and methylhaloacetylenes 444
Chapter IX VIBRATIONAL SPECTRA OF HALOGEN DERIVATIVES
OF BENZENE 447
62 Monohalogen derivatives of benzene 447
63 Dihalogen derivatives of benzene 453
viii
64 Trihalogen and tetrahalogen derivatives of benzene 463
65 Hexahalogen derivatives of benzene 466
Chapter X VIBRATIONAL SPECTRA OF OXYGLN-CONTAINING
COMPOUNDS 469
66 Water and its isotopic derivatives 469
67 Hydrogen peroxide and its deuteroderivatives 471
68 Methanol and its deuteroderivatives 473
69 Dimethyl ether, ethylene oxide and their deuteroderivatives 476
70 Ozone 479
71 Formaldehyde, acetaldehyde, and their deuuroderivatives 480
72 Acetone and hexadeuteroacetone 483
73 Halogen-substituted derivatives of formaldehyde and acetaldehyde 484
74 Formic acid monomer and dimer, acetic aciil monomer, and their
deuteroderivatives 489
75 Glyoxal, diacetyl, and acrolein 496
76 Carbon dioxide 500
77 Carbon suboxide 502
78 Ketene and its deuteroderivatives 504
79 Furan 506
Chapter XI VIBRATIONAL SPECTRA OF NITROGEN-CONTAINING
COMPOUNDS 508
80 Ammonia and nitrogen trifluoride 508
81 Methylaftiine and dimethylamine 511
82 Hydrazine 514
83 Hydrocyanic acid and acetonitrile 515
84 Nitromethane 518
85 Pyridine and deuteropyridines 520
86 Pyrimidine and pyridazine 523
87 Pyrazine and deuteropyrazine 527
88 Symmetric triazine and deuterotriazine 530
^ 89 Symmetric tetrazine, tetrazine-Di, and tetra/ine-D? 531
Chapter XII VIBRATIONAL SPECTRA OF SULFl tR-CONTAINING
COMPOUNDS 535
90 Hydrogen sulfide and its deuteroderivatives 535
91 Methylmercaptan and ethylmercaptan 536
92 Dimethylsulfide and ethylenesulfide 538
93 Thiophan 541
94 Thiophene and its deuteroderivatives 543
ix
95 Carbon disulfide and carbon oxysulfide 547
96 Sulfur dioxide 549
97 Sulfur hexafluoride 551
98 Elemental sulfur S8 552
Chapter XIII VIBRATIONAL SPECTRA OF SII ICON-CONTAINING
COMPOUNDS 554
99 Silane and deuterosilanes 554
100 Disilane and disilane-D6 557
101 Methylsilanes 558
102 Disilylmethane and the characteristic frequencies of silicon
hydrocarbons 564
Chapter XIV VIBRATIONAL SPECTRA OF BORON-CONTAINING
COMPOUNDS 567
103 Haloboranes 567
104 Trimethylborane and trimethylborane-D,, 569
105 Diborane and its isotopic derivatives 571
Chapter XV VIBRATIONAL SPECTRA OF PH( )SPHORUS-CONTAINING
COMPOUNDS 579
106 Phosphine 579
107 Methylphosphine 580
108 Phosphorus trihalides 581
109 The PC15 molecule 583
110 The molecules POCI3, POBr3, PSCI3, PSBi 3 584
Nomenclature and Units of Measurement Used in the Tables 587
Bibliography 588
Subject Index 639
x |
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| author | Sverdlov, Lazar' M. Kovner, Michail A. KRAINOV, EVGENII P. |
| author_facet | Sverdlov, Lazar' M. Kovner, Michail A. KRAINOV, EVGENII P. |
| author_role | aut aut aut |
| author_sort | Sverdlov, Lazar' M. |
| author_variant | l m s lm lms m a k ma mak e p k ep epk |
| building | Verbundindex |
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| ctrlnum | (OCoLC)630600926 (DE-599)BVBBV001952594 |
| discipline | Chemie / Pharmazie Physik |
| format | Book |
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| id | DE-604.BV001952594 |
| illustrated | Illustrated |
| indexdate | 2024-09-24T18:01:56Z |
| institution | BVB |
| isbn | 0470838450 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-001272855 |
| oclc_num | 630600926 |
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| owner | DE-91G DE-BY-TUM DE-355 DE-BY-UBR DE-188 |
| owner_facet | DE-91G DE-BY-TUM DE-355 DE-BY-UBR DE-188 |
| physical | XIII, 644 S. Ill., graph. Darst. |
| publishDate | 1974 |
| publishDateSearch | 1974 |
| publishDateSort | 1974 |
| publisher | Israel Program for Scientific Transl. |
| record_format | marc |
| spelling | Sverdlov, Lazar' M. Verfasser aut Kolebatel'nye spektry mnogoatomnykh molekul Vibrational spectra of polyatomic molecules Transl. from Russian by IPST Staff Lazar' Matveevič Sverdlov ; Michail Arkad'evič Kovner ; Evgenii Petrovič Krainov* Jerusalem Israel Program for Scientific Transl. 1974 XIII, 644 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier EST: Kolebatel'nye spektry mnogoatomnych molekul (engl.) Molekül (DE-588)4039972-2 gnd rswk-swf Molekülspektrum (DE-588)4170379-0 gnd rswk-swf Schwingungsspektrum (DE-588)4054009-1 gnd rswk-swf Spektrum (DE-588)4056139-2 gnd rswk-swf Schwingungszustand (DE-588)4054010-8 gnd rswk-swf Polyatomare Verbindungen (DE-588)4175110-3 gnd rswk-swf Molekülspektroskopie (DE-588)4128850-6 gnd rswk-swf Molekülspektrum (DE-588)4170379-0 s DE-604 Molekül (DE-588)4039972-2 s Schwingungszustand (DE-588)4054010-8 s Spektrum (DE-588)4056139-2 s Molekülspektroskopie (DE-588)4128850-6 s Schwingungsspektrum (DE-588)4054009-1 s Polyatomare Verbindungen (DE-588)4175110-3 s Kovner, Michail A. Verfasser aut KRAINOV, EVGENII P. Verfasser aut HEBIS Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001272855&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Sverdlov, Lazar' M. Kovner, Michail A. KRAINOV, EVGENII P. Vibrational spectra of polyatomic molecules Transl. from Russian by IPST Staff Molekül (DE-588)4039972-2 gnd Molekülspektrum (DE-588)4170379-0 gnd Schwingungsspektrum (DE-588)4054009-1 gnd Spektrum (DE-588)4056139-2 gnd Schwingungszustand (DE-588)4054010-8 gnd Polyatomare Verbindungen (DE-588)4175110-3 gnd Molekülspektroskopie (DE-588)4128850-6 gnd |
| subject_GND | (DE-588)4039972-2 (DE-588)4170379-0 (DE-588)4054009-1 (DE-588)4056139-2 (DE-588)4054010-8 (DE-588)4175110-3 (DE-588)4128850-6 |
| title | Vibrational spectra of polyatomic molecules Transl. from Russian by IPST Staff |
| title_alt | Kolebatel'nye spektry mnogoatomnykh molekul |
| title_auth | Vibrational spectra of polyatomic molecules Transl. from Russian by IPST Staff |
| title_exact_search | Vibrational spectra of polyatomic molecules Transl. from Russian by IPST Staff |
| title_full | Vibrational spectra of polyatomic molecules Transl. from Russian by IPST Staff Lazar' Matveevič Sverdlov ; Michail Arkad'evič Kovner ; Evgenii Petrovič Krainov* |
| title_fullStr | Vibrational spectra of polyatomic molecules Transl. from Russian by IPST Staff Lazar' Matveevič Sverdlov ; Michail Arkad'evič Kovner ; Evgenii Petrovič Krainov* |
| title_full_unstemmed | Vibrational spectra of polyatomic molecules Transl. from Russian by IPST Staff Lazar' Matveevič Sverdlov ; Michail Arkad'evič Kovner ; Evgenii Petrovič Krainov* |
| title_short | Vibrational spectra of polyatomic molecules |
| title_sort | vibrational spectra of polyatomic molecules transl from russian by ipst staff |
| title_sub | Transl. from Russian by IPST Staff |
| topic | Molekül (DE-588)4039972-2 gnd Molekülspektrum (DE-588)4170379-0 gnd Schwingungsspektrum (DE-588)4054009-1 gnd Spektrum (DE-588)4056139-2 gnd Schwingungszustand (DE-588)4054010-8 gnd Polyatomare Verbindungen (DE-588)4175110-3 gnd Molekülspektroskopie (DE-588)4128850-6 gnd |
| topic_facet | Molekül Molekülspektrum Schwingungsspektrum Spektrum Schwingungszustand Polyatomare Verbindungen Molekülspektroskopie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001272855&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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