ROTATIONAL SPECTRA AND MOLECULAR STRUCTURE
CONTENTS 1 WAVE MECHANICS, ENERGY QUANTIZATION AND ATOMIC STRUCTURE TOWARDS QUANTUM THEORY TOWARDS THE WAVE NATURE OF THE ELECTRON SCHRÖDINGER WAVE THEORY QUANTIZATION OF TRANSLATIONAL ENERGY QUANTIZATION OF VIBRATIONAL ENERGY QUANTIZATION OF ROTATIONAL ENERGY OF DIATOMIC MOLECULES QUANTIZATION OF ELECTRONIC ENERGY: THE HYDROGEN ATOM PICTORIAL REPRESENTATIONS OF WAVE FUNCTIONS AND PROBABILITY DENSITY DISTRIBUTIONS FOR HYDROGEN-LIKE SPECIES ANGULAR MOMENTUM AND THE MAGNETIC MOMENT ZEEMAN AND ANOMALOUS ZEEMAN EFFECTS MANY-ELECTRON ATOMS THE INDISTINGUISHABILITY OF ELECTRONS AND THE PAULI EXCLUSION PRINCIPLE ATOMIC TERM SYMBOLS HUND’S RULE THE AUFBAU PRINCIPLE AND THE ELECTRONIC CONFIGURATIONS OF ATOMS ANNEXURE I DERIVATION OF DE BROGLIE RELATION FOR A PHOTON ANNEXURE II SOLUTIONS OF SCHRÖDINGER EQUATION FOR A HARMONIC OSCILLATOR ANNEXURE III OPERATORS FOR THE COMPONENTS OF ANGULAR MOMENTUM ANNEXURE IV COMMUTATORS OF ANGULAR MOMENTUM OPERATORS ANNEXURE V TRANSFORMATION OF LAPLACIAN OPERATOR FROM CARTESIAN COORDINATES TO SPHERICAL POLAR COORDINATES ANNEXURE VI SPLITTING OF SCHRÖDINGER EQUATION OF HYDROGEN ATOM ANNEXURE VII ATOMIC UNITS ANNEXURE VIII THE LADDER-OPERATOR METHOD APPLIED TO ANGULAR MOMENTUM ANNEXURE IX ELECTRONIC TRANSITIONS IN HYDROGEN ATOM INCLUDING SPIN-ORBIT COUPLING ANNEXURE X FIRST-ORDER PERTURBATION THEORY ANNEXURE XI PROOF OF VARIATIONAL THEOREM ANNEXURE XII THE VARIATIONAL METHOD 2 THEORIES OF COVALENT BOND INTRODUCTION EXPRESSION OF SCHRÖDINGER EQUATION BORN-OPPENHEIMER APPROXIMATION TWO APPROACHES FOR APPROXIMATE SOLUTION OF SCHRÖDINGER EQUATION LCAO-MO TREATMENT OF H+2 LCAO-MO TREATMENT OF A HYDROGEN MOLECULE VALENCE-BOND TREATMENT OF A HYDROGEN MOLECULE COMPARISON BETWEEN MO AND VB TREATMENTS OF A HYDROGEN MOLECULE MO TREATMENT OF HOMONUCLEAR DIATOMIC MOLECULES MOLECULAR TERM SYMBOLS H ETERONUCLEAR DIATOMIC MOLECULES UNITED-ATOM CONCEPT AND THE CORRELATION DIAGRAMS HYBRID ORBITALS TRIATOMIC MOLECULES CORRELATION OF THE ORBITALS FOR BENT AND LINEAR AH2 MOLECULES CONJUGATED ORGANIC MOLECULES ANNEXURE I LOCALIZED MOLECULAR ORBITALS OF CO AND N2 MOLECULES ANNEXURE II EVALUATION OF INTEGRALS J, K AND S IN THE LCAO-MO TREATMENT OF H+2 ANNEXURE III CONVENTIONAL REPRESENTATION OF SP3 HYBRID ORBITALS 3 ELECTRICAL AND MAGNETIC PROPERTIES OF MOLECULES E LECTRIC DIPOLE MOMENT EFFECT OF A DIELECTRIC ON THE ELECTROSTATIC FIELD OF A PARALLEL PLATE CAPACITOR CLAUSIUS-MOSOTTII EQUATION DEBYE EQUATION E XPERIMENTAL METHOD TO DETERMINE A AND P VARIATION OF MOLAR POLARIZATION WITH THE FREQUENCY OF ELECTRIC FIELD LORENTZ-LORENZ EQUATION UNION OF THE DEBYE AND THE LORENTZ-LORENZ EQUATIONS IONIC CHARACTER OF DIATOMIC MOLECULES BOND MOMENTS GROUP MOMENTS APPLICATIONS OF DIPOLE MOMENTS MAGNETIC FIELD IN A SUBSTANCE MOLECULAR INTERPRETATION OF DIAMAGNETISM AND PARAMAGNETISM TOTAL MOLAR MAGNETIC SUSCEPTIBILITY CALCULATION OF THE NUMBER OF UNPAIRED ELECTRONS GOUY BALANCE METHOD TO MEASURE MAGNETIC SUSCEPTIBILITY ANNEXURE I E LECTROSTATIC AND MAGNETIC FIELDS ANNEXURE II EXPRESSION OF ORIENTATION POLARIZABILITY 4 MOLECULAR SPECTROSCOPY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY ELECTRON SPIN RESONANCE SPECTROSCOPY ROTATIONAL SPECTRA OF DIATOMIC MOLECULES VIBRATIONAL SPECTRA OF DIATOMIC MOLECULES VIBRATION-ROTATION SPECTRA OF DIATOMIC MOLECULES VIBRATION SPECTRA OF POLYATOMIC MOLECULES RAMAN SPECTRA ELECTRONIC SPECTRA OF DIATOMIC MOLECULES ANNEXURE A QUALITATIVE STUDY OF QUANTUM MECHANICAL TREATMENT OF SPIN TRANSITIONS IN AX, A2 AND AX2 SYSTEMS 5 MOLECULAR SYMMETRY AND ITS APLICATIONS SYMMETRY ELEMENTS AND ASSOCIATED SYMMETRY OPERATIONS CLASSIFICATION OF MOLECULES BASED ON SYMMETRY ELEMENTS MATRIX REPRESENTATIONS OF GEOMETRICAL OPERATIONS DEFINITION OF A GROUP GROUP CONSISTING OF SYMMETRY OPERATIONS ON A MOLECULE CLASSES OF SYMMETRY OPERATIONS A FEW REPRESENTATIONS OF SYMMETRY OPERATIONS OF A POINT GROUP REDUCIBLE AND IRREDUCIBLE REPRESENTATIONS CHARACTERS OF MATRICES THE GREAT ORTHOGONALITY THEOREM CHARACTERISTICS OF IRREDUCIBLE REPRESENTATIONS WORKED OUT EXAMPLES OF IRREDUCIBLE REPRESENTATIONS OF A GROUP RESOLUTION OF A REDUCIBLE REPRESENTATION IN TERMS OF IRREDUCIBLE REPRESENTATIONS DESCRIPTION OF A CHARACTER TABLE DESCRIPTION OF MULLIKEN SYMBOLS REDUCIBLE REPRESENTATION BASED ON TRANSLATIONAL VECTORS AND ITS RESOLUTION INTO IRREDUCIBLE REPRESENTATIONS–REVISITED THE PROJECTION OPERATOR WORKED OUT EXAMPLES OF SALC’S AND MO’S P-MOLECULAR ORBITALS OF A CARBOCYCLIC SYSTEM FORMATION OF HYBRID ORBITALS PREDICTING ZERO VALUE OF AN INTEGRAL IRREDUCIBLE REPRESENTATIONS OF VIBRATIONAL MOTIONS PREDICTING PROBABILITY OF A SPECTRAL TRANSITION CORRELATION DIAGRAMS FOR A D2 ION IN AN OCTAHEDRAL AND TETRAHEDRAL ENVIRONMENTS ANNEXURE SOME COMMONLY USED CHARACTER TABLES