Mangini Advances in Molecular Spectroscopy

Proceedings of the IVth International Meeting on Molecular Spectroscopy
1. Auflage 2013
ISBN: 978-1-4832-2675-0
Verlag: Elsevier Science & Techn.
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, 516 Seiten, Web PDF

Advances in Molecular Spectroscopy, Volume 1 covers the proceedings of the Fourth Meeting of Molecular Spectroscopy, held in Bologna, Italy on September 7-12, 1959. This book is organized into three parts encompassing 69 chapters. The first part presents first some experimental and correlations studies on molecular structure, followed by discussions on the application of molecular spectroscopic techniques for molecular structure determination. Part II reviews experimental determination of Raman intensities, vibrations of aromatic rings, and IR spectra and electronic structure of various organic compounds. Part III considers the general theories on molecular spectroscopy. This topic is followed by surveys on electron energy, orbital valency, relations among potential energy of diatomic molecules, and determination of rotation structure. This book will be of value to molecular spectroscopists and analytical and organic chemists.

Autoren/Hrsg.

Mangini, A.

Inhaltsverzeichnis

1;Front Cover;1
2;Advances in Molecular Spectroscopy;4
3;Copyright Page;5
4;Table of Contents;20
5;FOREWORD;6
6;PRESIDENTIAL ADDRESS;10
7;PART I:
GENERAL LECTURES;34
7.1;CHAPTER 1. EXPERIMENTS AND CORRELATIONS ON MOLECULAR STRUCTURE;36
7.1.1;REFERENCES;48
7.2;CHAPTER 2.
THE ULTRAVIOLET SPECTRA OF MOLECULAR CRYSTALS;49
7.2.1;INTRODUCTION;49
7.2.2;FORMAL BASIS;50
7.2.3;SOME EXAMPLES;54
7.2.4;REFERENCES;61
7.3;CHAPTER 3.
MOLECULAR SPECTRA IN THE VACUUM ULTRAVIOLET;62
7.3.1;REFERENCES;66
7.4;CHAPTER 4.
INFRARED SPECTRA OF CRYSTALS;67
7.5;CHAPTER 5. ROTATORY DISPERSION AND THE VIBRATING MOMENTUM OF OPTICALLY ACTIVE ABSORPTIONS BANDS;68
7.5.1;REFERENCES;80
7.6;CHAPTER 6. IFRARED STRUCTURAL STUDIES BEYOND FIFTY MICRONS;82
7.6.1;INTRODUCTION;82
7.6.2;PURE ROTATIONAL SPECTRA IN THE FAR INFRARED;83
7.6.3;VIBRATIONAL SPECTRA IN THE FAR INFRARED;83
7.6.4;HINDERED ROTATION;85
7.6.5;MOLECULES WITH INVERSION;87
7.6.6;DOUBLE MINIMA IN QUASI-LINEAR MOLECULES;90
7.6.7;REFERENCES;92
7.7;CHAPTER 7. ASSIGNMENT OF INFRARED BANDS AND THE APPROXIMATE CALCULATION OF NORMAL VIBRATIONS;93
7.7.1;INTRODUCTION;93
7.7.2;HYDROGEN DEFORMATION VIBRATIONS;94
7.7.3;SKELETAL VIBRATIONS;98
7.7.4;AMIDE
VIBRATIONS;99
7.7.5;REFERENCES;102
8;PART II:
INVITED PAPERS;104
8.1;CHAPTER 8. EXPERIMENTAL DETERMINATION OF RAMAN INTENSITIES;105
8.2;CHAPTER 9. SPETTRI RAMAN E ASSOCIAZIONI MOLECOLARI DELLA PIRIDINA IN SOLUZIONI
DIVERSE;106
8.2.1;BIBLIOGRAFIA;122
8.2.2;DISCUSSIONE;122
8.3;CHAPTER 10.
NORMAL VIBRATIONS OF AROMATIC RINGS;123
8.4;CHAPTER 11.
INFRARED SPECTRA OF AZOTHIOBENZENES;124
8.4.1;REFERENCES;128
8.5;CHAPTER 12. REFLEXIONSSPEKTROSKOPIE UND IHRE ANWENDUNGEN;129
8.5.1;BEISPIELE;130
8.5.2;LITERATURVERZEICHNIS;136
8.6;CHAPTER 13. MESURES PAR RÉFLEXION DANS LE SPECTRE INFRAROUGE;137
8.6.1;I - AVANTAGES ET UTILISATIONS DES SPECTRES INFRAROUGES PAR RÉFLEXION;137
8.6.2;II - TECHNIQUES POUR L'OBTENTION DES SPECTRES PAR RÉFLEXION ET QUELQUES RÉSULTATS EXPÉRIMENTAUX;138
8.6.3;Ill - MESURES DES CONSTANTES OPTIQUES PAR RÉFLEXION;144
8.6.4;IV - COMPARAISON DES DIFFÉRENTES MÉTHODES DE MESURE PAR RÉFLEXION DES CONSTANTES OPTIQUES;152
8.6.5;REFERENCES;153
8.6.6;DISCUSSION;153
8.7;CHAPTER 14. QUELQUES PROGRÉS RÉCENTS DANS L'ÉTUDE DES SPECTRES RAMAN;154
8.7.1;1. INTRODUCTION;154
8.7.2;2. TECHNIQUES EXPÉRIMENTALES;154
8.7.3;3. DÉTERMINATION DES FRÉQUENCES;157
8.7.4;4. MESURES DES INTENSITIÉS;159
8.7.5;5. EXPRESSION DES
INTENSITIÉS;161
8.7.6;6. CALCUL DES INTENSITES;164
8.7.7;7. EFFET RAMAN DES CRISTAUX;167
8.7.8;BIBLIOGRAPHIE;169
8.7.9;DISCUSSION;170
8.8;CHAPTER 15.
ANALYTISCHE PROBLEME DER IR-SPEKTROSKOPIE;171
8.9;CHAPTER 15. MICROWAVE SPECTROSCOPIC STUDIES OF NEAR-LINEAR MOLECULES OF THE TYPE H2XYZ;172
8.9.1;1. ROTATIONAL CONSTANTS AND MOLECULAR GEOMETRY;173
8.9.2;2 . NUCLEAR QUADRUPOLE SPLITTINGS;175
8.9.3;3. MOLECULAR DIPOLE MOMENTS;176
8.9.4;4. CENTRIFUGAL DISTORTION EFFECTS;176
8.9.5;5. SPECTRA OF VIBRATIONALLY-EXCITED MOLECULES;178
8.9.6;REFERENCES;179
8.10;CHAPTER 16.
THE ELECTRONIC SPECTRA OF SIMPLE MOLECULES;181
8.10.1;REFERENCES;191
8.10.2;DISCUSSION;191
8.11;CHAPTER 17.
THE ANALYSIS OF NUCLEAR RESONANCE SPECTRA;193
8.11.1;INTRODUCTION;193
8.11.2;PERTURBATION METHODS;197
8.11.3;MAGNETIC EQUIVALENCE AND CHOICE OF BASIS FUNCTIONS;198
8.11.4;SYMMETRICAL EQUIVALENCE;202
8.11.5;PARTIAL ANALYSES WHICH DO NOT REQUIRE SOLVING THE SCHRÖDINGER EQUATION;202
8.11.6;THE MOMENT
METHOD;205
8.11.7;ISOTOPIC SUBSTITUTION AND MULTIPLE IRRADIATION;206
8.11.8;ACKNOWLEDGEMENT;206
8.11.9;REFERENCES;207
8.11.10;DISCUSSION;207
9;PART III:
PAPERS;208
9.1;SECTION I: GENERAL THEORIES
ON MOLECULAR SPECTRA;208
9.1.1;CHAPTER 18. ULTRAVIOLET EMISSION SPECTRA OF
THE HYDROGEN HALIDES;209
9.1.2;CHAPTER 19. EFFECTS OF CENTRIFUGAL STRETCHING ON THE INTENSITY OF ROTATIONAL LINES
IN WATER VAPOR;209
9.1.3;CHAPTER 20. CONTRIBUTI AD UNO SVILUPPO MODERNO DEL CONCETTO DI COORDINAZIONE;210
9.1.3.1;(A) IONE COMPLESSO [Mo(CN)8]4- CONSIDERATO SECONDO LA SIMMETRIA DEL GRUPPO Vd - DODECAEDRO (III).;213
9.1.3.2;(B) IONE COMPLESSO [Mo(CN)8]4- SECONDO LA SIMMETRIA DEL GRUPPO C2v-PRISMA TRIGONALE A FACCE RETTANGOLARI CENTRATE (IV);219
9.1.3.3;(C) IONE COMPLESSO [Mo(CN)8]4- SECONDO LA SIMMETRIA DEL GRUPPO D4d-ANTIPRISMA TETRAGONALE DI ARCHIMEDE. (V);223
9.1.3.4;APPENDICE;226
9.1.3.5;BIBLIOGRAFIA;228
9.1.4;CHAPTER 21. THE HALF-LIFE OF THE METASTABLE LEVEL A3S OF THE NITROGEN MOLECULE;230
9.1.4.1;I. INTRODUCTION;230
9.1.4.2;II. EXPERIMENT;231
9.1.4.3;III. RESULTS;232
9.1.4.4;REFERENCES;233
9.1.5;CHAPTER 22. AUTOMATISCHE MOLEKÜLMODELLRECHNUNG MIT DER PERM;234
9.1.5.1;SCHRIFTTUM;241
9.1.5.2;DISCUSSION;242
9.1.6;CHAPTER 23. CALCULATION OF THE p ELECTRON ENERGY OF AROMATIC IONS WITH AN ODD NUMBER OF ELECTRONS: SOME REMARKS ON THE JAHN—TELLER EFFECT;243
9.1.6.1;REFERENCES;247
9.1.7;CHAPTER 24. RELATIONS ENTRE LES FRÉQUENCES DE VIBRATION DE VALENCE vc=o ET LA STRUCTURE ELECTRONIQUE DES COMPOSÉS CARBONYLÉS;248
9.1.8;CHAPTER 25. POLARIZATIONS OF ELECTRONIC TRANSITIONS
IN AROMATIC HYDROCARBON MOLECULES AND IONS;249
9.1.8.1;RESULTS;250
9.1.8.2;REFERENCES;252
9.1.9;CHAPTER 26. THE SPECTRA OP TETRAHEDRAL
INORGANIC MOLECULES;253
9.1.9.1;1. INTRODUCTION;253
9.1.9.2;2. EXPERIMENTAL;253
9.1.9.3;3. THEORETICAL;256
9.1.9.4;4. INTERPRETATION AND DISCUSSION;257
9.1.9.5;5. CONCLUSIONS;258
9.1.9.6;REFERENCES;259
9.1.9.7;DISCUSSION;259
9.1.10;CHAPTER 27. APPLICATION OF THE ORBITAL VALENCY FORCE FIELD TO ALLENE, KETENE AND DIAZOMETHANE;260
9.1.10.1;REFERENCES;267
9.1.10.2;DISCUSSION;268
9.1.11;CHAPTER 28. COEFFICIENTS D'INTERACTION ENTRE LA VIBRATION ET LA ROTATION ET COEFFICIENTS DU POTENTIEL ANHARMONIQUE DES MOLÉCULES A SYMMETRIE AXIALE;269
9.1.12;CHAPTER 29. CALCUL APPROCHÉ DES FRÉQUENCES DE VIBRATION NORMALES DES BENZÉNES MONOSUBSTITUÉS A L'ÉTAT FONDAMENTAL;270
9.1.12.1;INTRODUCTION;270
9.1.12.2;PRINCIPE DU CALCUL;270
9.1.12.3;RECHERCHE DE L'ÉQUATION SÉCULAIRE;271
9.1.12.4;RÉSOLUTION DES EQUATIONS SÉCULAIRES;272
9.1.12.5;DONNÉES NUMÉRIQUES;273
9.1.12.6;RESULTATS ET DISCUSSION;273
9.1.12.7;CONCLUSION;276
9.1.12.8;BIBLIOGRAPHIE;276
9.1.13;CHAPTER 30. ACCURATE THEORETICAL RESULTS FOR THE GROUND STATE OF THE HYDROGEN MOLECULE;277
9.1.13.1;SELF-CONSISTENT-FIELD MOLECULAR ORBITALS;277
9.1.13.2;CORRELATED ORBITALS;279
9.1.13.3;CONFIGURATION INTERACTION WITH r12;280
9.1.13.4;QUADRUPOLE MOMENT;282
9.1.13.5;DISCUSSION;282
9.1.14;CHAPTER 31. THE ROLE OP THE SPIN-SPIN INTERACTION IN THE MULTIPLET SPLITTING OF THE 4. STATE OF THE 0+2 MOLECULE;284
9.1.14.1;REFERENCES;287
9.1.14.2;DISCUSSION;287
9.1.15;CHAPTER 32. THE ORIENTATION OF ELECTRONIC TRANSITION MOMENTS IN SOME ANTHRAQUINONE DERIVATIVES;288
9.1.15.1;REFERENCES;292
9.1.16;CHAPTER 33.
DELTA FUNCTION MODEL OF CHEMICAL BINDING;293
9.1.16.1;DISCUSSION;293
9.1.17;CHAPTER 34. SPECTRES DE VIBRATION DU MÉTHANOL ET CALCUL DE SON CHAMP DE FORCE;295
9.1.17.1;DISCUSSION;295
9.1.18;CHAPTER 35. CALCULATION OF SOME p-ELECTRON STATES IN FURAN AND THIOPHENE USING VALENCE BOND APPROXIMATION;296
9.1.18.1;REFERENCES;298
9.1.19;CHAPTER 36. ON THE APPLICATION OF THE ADDITIVE STATISTICAL METHOD FOR THE STUDY OF FLUORESCENT AND ABSORPTION SPECTRA;299
9.1.19.1;REFERENCES;319
9.1.20;CHAPTER 37.
EFFECTIVE CHARGE AND IONICITY OF A BOND;321
9.1.20.1;REFERENCES;322
9.1.20.2;DISCUSSION;323
9.1.21;CHAPTER 38. THE CALCULATION OF ACCURATE NORMAL COORDINATES;324
9.1.21.1;DISCUSSION;325
9.1.22;CHAPTER 39. UN METODO APPROSSIMATO PER IL CALCOLO DELLE FREQUENZE DI VIBRAZIONE DI MOLECOLE CONTENENTI GRUPPI METILICI;326
9.1.22.1;BIBLIOGRAFIA;329
9.1.23;CHAPTER 40. ORDRE DE GRANDEUR DES DIVERSES CORRECTIONS A L'ÉNERGIE DE VIBRATION-ROTATION;330
9.1.24;CHAPTER 42. BAND SHAPES OF INDUCED ROTATIONAL AND VIBRATIONAL SPECTRA OF HOMONUCLEAR MOLECULES;331
9.1.24.1;I. ROTATIONAL ABSORPTION;331
9.1.24.2;2. VIBRATIONAL ABSORPTION;336
9.1.24.3;REFERENCES;337
9.1.24.4;DISCUSSION;337
9.1.25;CHAPTER 43. HYPERCONJUGATION IN SIMPLE HETERO-NUCLEAR MOLECULES;338
9.1.25.1;REFERENCES;340
9.1.26;CHAPTER 44. CALCOLO DELLE PERTURBAZIONI INTRODOTTE NELLO SPETTRO ULTRAROSSO DEI COMPLESSI DEL TIPO Me(CN)6 DALLA PRESENZA DI ISOTOPI E DAL CAMPO CRISTALLINO;341
9.1.27;CHAPTER 45. CALCUL DE L'INFLUENCE DES EFFETS DE DISPERSION SUR LE DISPLACEMENT DE LA FRÉQUENCE FONDAMENTALE DE VIBRATION DE HC1 EN SOLUTION;343
9.1.28;CHAPTER 46. KRAFTKONSTANTEN VON PHOSPHORSÄUREDERIVATEN BERECHNET NACH EINER RELAXATIONSMETHODE;344
9.1.28.1;1. GRUNDSCHWINGUNGEN;344
9.1.28.2;2. DIE SCHWINGUNGSGLEICHUNGEN;346
9.1.28.3;3; DAS RECHENVERFAHREN;350
9.1.28.4;4. DIE KRAFTKONSTANTEN;352
9.1.28.5;5. BINDUNGSZUSTAND;353
9.1.28.6;LITERATUR;354
9.1.28.7;DISCUSSION;355
9.1.29;CHAPTER 47. RELATIONS AMONG POTENTIAL ENERGY CURVES OF DIATOMIC MOLECULES;356
9.1.29.1;INTRODUCTION;356
9.1.29.2;PERFECT-PAIRING APPROXIMATION;357
9.1.29.3;MODIFIED PERFECT PAIRING;359
9.1.29.4;CONCLUSIONS;363
9.1.29.5;REFERENCES;363
9.1.30;CHAPTER 48. FONCTIONS POTENTIELLES DE VIBRATION DE QUELQUES MOLECULES ET RADICAUX LIBRES;364
9.1.30.1;1. INTRODUCTION;364
9.1.30.2;2. CALCUL DES FONCTIONS POTENTIELLES;364
9.1.30.3;DISCUSSION;367
9.1.30.4;DISCUSSION;368
9.1.30.5;DISCUSSION;372
9.1.30.6;DISCUSSION;376
9.1.30.7;BIBLIOGRAPHIE;376
9.1.31;CHAPTER 49. FORCE FIELD CALCULATIONS ON A NUMBER OF HIGHLY SYMMETRICAL MOLECULES OF GENERAL FORMULA X4Y6Z4;378
9.1.31.1;INTRODUCTION;378
9.1.31.2;CALCULATIONS;379
9.1.31.3;VALENCY FORCE FIELD;380
9.1.31.4;EXTENDED FORCE FIELD;381
9.1.31.5;CONCLUSIONS;385
9.1.31.6;ACKNOWLEDGEMENTS;386
9.1.31.7;REFERENCES;386
9.1.31.8;DISCUSSION;386
9.2;SECTION (II.1.): U.V. SPECTRA AND EMISSION SPECTRA;387
9.2.1;CHAPTER 50. THE SPECTROSCOPY AND PHOTOCHEMISTRY
OF ANTHRAQUINONE DYES;387
9.2.1.1;REFERENCES;395
9.2.2;CHAPTER 51. ULTRAVIOLET EMISSION SPECTRA OF THE HYDROGEN HALIDES;396
9.2.2.1;DISCUSSION;396
9.2.3;CHAPTER 52. SPETTRI DI ASSORBIMENTO DI SOLUZIONI DI SALI COMPLESSI. NOTA III. DERIVATI DEL MOLIBDENOTTOCIANURO: K2Mo(CN)2(OH)2.3H20;397
9.2.4;CHAPTER 53. L'ASSORBIMENTO NELL'ULTRAVIOLETTO DI MOLECOLE CONTENENTI L'OSSIMMINO-GRUPPO;398
9.2.4.1;BIBLIOGRAFIA;405
9.2.5;CHAPTER 54. THE ABSORPTION SPECTRA AND PHOTOIONIZATION OF POLYATOMIC MOLECULES IN THE VACUUM ULTRAVIOLET;406
9.2.6;CHAPTER 55.
SPETTRI U. V. E I. R. DI DIISOSSAZOLI;407
9.2.7;CHAPTER 56.
EMISSION SPECTRUM OF IONIZED NITROUS OXIDE, N2O+;408
9.2.7.1;REFERENCES;409
9.2.7.2;DISCUSSION;409
9.2.8;CHAPTER 57. SPETTRI D'ASSORBIMENTO U. V. DI SOLUZIONI DI SALI COMPLESSI;410
9.2.8.1;PARTE SPERIMENTALE;411
9.2.8.2;DISCUSSIONE DEI RISULTATI;417
9.2.8.3;BIBLIOGRAFIA;419
9.2.9;CHAPTER 58.
TRIPLET TRANSITIONS IN NITROGEN;420
9.2.9.1;THE GOLDSTEIN-KAPLAN SYSTEM;420
9.2.9.2;NEW INFRARED SYSTEM;421
9.2.9.3;REFERENCES;422
9.2.9.4;DISCUSSION;423
9.2.10;CHAPTER 59. ASYMMETRIC ANNELLATION EFFECTS AND THE ENERGY LEVELS IN THE ACENE SERIES;424
9.2.10.1;REFERENCES;429
9.2.11;CHAPTER 60.
THE ELECTRONIC SPECTRUM OF LEAD TELLURIDE;430
9.2.12;CHAPTER 61. EFFET DE MONOSUBSTITUTION SUR LES SPECTRES ÉLECTRONIQUES DU BENZÈNE. ÉTUDE A L'ÉTAT GAZEUX;431
9.2.12.1;INTRODUCTION;431
9.2.12.2;TRANSITION 1B2u–1A1g DU BENZÈNE. EFFET DE SUBSTITUTION;431
9.2.12.3;PARTIE EXPÉRIMENTALE;434
9.2.12.4;RÉSULTATS OBTENTUS ET DISCUSSION;434
9.2.12.5;BIBLIOGRAPHIE;444
9.2.12.6;DISCUSSION;445
9.2.13;CHAPTER 62.
THE STUDY OF PYRIDINIUM IODIDE CHARGE-TRANSFER BANDS;446
9.2.13.1;REFERENCES;450
9.2.13.2;DISCUSSION;450
9.2.14;CHAPTER 63.
ANALYSIS OF THE NEAR ULTRAVIOLET ABSORPTION SPECTRUM OF PYRAZINE;451
9.2.14.1;DISCUSSION;451
9.2.15;CHAPTER 64. EFFETS DE MILIEUX RIGIDES SUR LES SPECTRES ÉLECTRONIQUES DU BENZÈNE;452
9.2.15.1;INTRODUCTION;452
9.2.15.2;PARTIE EXPÉRIMENTALE;452
9.2.15.3;SPECTRES D'ABSORPTION;453
9.2.15.4;EFFET DE CC14 SUR L'ABSORPTION;456
9.2.15.5;SPECTRES DE LUMINESCENCE;458
9.2.15.6;PHOSPHORESCENCE;461
9.2.15.7;EFFET DE CC14 SUR LES SPECTRES DE LUMINESCENCE;461
9.2.15.8;EFFET DE L'OXYGENE ET DU CC14;463
9.2.15.9;AUTRE ARGUMENT CONTRE L'HYPOTHESE DE HAM;465
9.2.15.10;STRUCTURES DES SPECTRES EN MILIEU RIGIDE;466
9.2.15.11;BIBLIOGRAPHIE;467
9.2.16;CHAPTER 65. SPETTRI IN U.V. DI ARIL-SOLFONATI;469
9.2.16.1;BIBLIOGRAFIA DI TABELLA 1;474
9.2.16.2;BIBLIOGRAFIA;475
9.2.17;CHAPTER 66. FLUORESZENZSPEKTRUM UND FRANCK-CONDON-PRINZIP IN LÖSUNGEN AROMATISCHER VERBINDUNGEN;476
9.2.17.1;EINLEITUNG;476
9.2.17.2;EXPERIMENTELLES;478
9.2.17.3;WELLENZAHLVERSCHIEBUNGEN;478
9.2.17.4;INTENSITÄTSÄNDERUNGEN;484
9.2.17.5;SCHLUSS;489
9.2.17.6;LITERATUR;490
9.2.18;CHAPTER 67. ON THE TRANSITIONS n-p* OF SOME N - OXIDES OF HETEROCYCLIC BASES;491
9.2.18.1;REFERENCES;498
9.2.18.2;DISCUSSION;498
9.2.19;CHAPTER 68. THE ROTATIONAL STRUCTURE OF THE VIBRATIONLESS BAND IN THE n.. ELECTRONIC TRANSITIONS OF PYRAZINE AND 8-TETRAZINE;499
9.2.19.1;REFERENCES;503
9.2.20;CHAPTER 69.
SPETTRI DI ASSORBIMENTO DI COMPOSTI ETEROCICLICI;504
9.2.20.1;PARTE SPERIMENTALE;505
9.2.20.2;RISULTATI;507
9.2.20.3;CONSIDERAZIONI TEORICHE PRELIMINARI;514
9.2.20.4;BIBLIOGRAFIA;516