Rotational Constants of Diamagnetic Diatomic, Linear, Symmetric Top Molecules

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See also Hollas p Spectrum of the asymmetric stretching parallel band of carbon dioxide , 12 C 16 O 2 simulated with Spectralcalc. Spectrum of central region of the symmetric bending vibration in ammonia simulated with Spectralcalc, [6] illustrating inversion doubling. Nitrogen inversion in ammonia. Absorption spectrum attenuation coefficient vs. EVN observations of 6. Momjian, E. Magnetic fields in molecular clouds: observations confront theory. A new probe of magnetic fields during high-mass star formation. Magnetic field regulated infall on the disc around the massive protostar Cepheus A HW2.

Voronkov, M. Methanol masers reveal the magnetic field of the high-mass protostar IRAS Marshall, M. Methanol absorption in PKS B at milliarcsecond scales. Xu, L. Sensitivity of transitions in internal rotor molecules to a possible variation of the proton-to-electron mass ratio.

Shinnaga, H. Ramos, A. Theory and modeling of the Zeeman and Paschen-Back effects in molecular lines. Heuvel, J. Hyperfine structure of CH 3 OH. Belov, S. Torsionally mediated spin-rotation hyperfine splittings at moderate to high J values in methanol. Coudert, L. Spin-torsion effects in the hyperfine structure of methanol. Eshbach, J. Rotational magnetic moments of closed shell molecules. Flygare, W. The molecular Zeeman effect in diamagnetic molecules and the determination of molecular magnetic moments g values , magnetic susceptibilities, and molecular quadrupole moments.

Sutter, D. Magnetic interactions in molecules and an analysis of molecular electronic charge distribution from magnetic parameters. Gauss, J. Perturbation-dependent atomic orbitals for the calculation of spin-rotation constants and rotational g -tensors. Lutnaes, O. Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations. Stanton, J. Dunning, T. Jr Gaussian basis sets for use in correlated molecular calculations. The atoms boron through neon and hydrogen.

Zeeman effect of molecules with low methyl barriers. A 28 , — Mulliken, R.

Measurement of molecular magnetic susceptibility anisotropies

Alexander, M. Diffusion controlled reactions — influence of solvation, internal pressure and dielectric constant on reaction rates. Ionic reactions — double sphere model for effect of solvent on ionic reaction rates. Primary and secondary salt effects. Kinetic and thermodynamic control of reactions. Kinetics of chain reactions — H2 and O2 reaction — Explosion limits.

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Dehydrogenation of ethane, pyrolysis of acetaldehyde — Rice—Herzfeld mechanisms. Kinetics of fast reactions — features of fast reactions. Self study: Study of fast reactions by flow method, relaxation method, flash photolysis and NMR method. Listing of common organic reactions and predicting their kinetic and thermodynamic products. Kinetics of cationic and anionic polymerization. Co-polymerization — free radical mechanism and copolymer composition. Physical Chemistry, P. Atkins, Julio de Paula, W.

Freeman and company, 9th edition Chemical Kinetics, K. Laidler, Pearson Education Singapore Pvt. Advanced Physical Chemistry, J. Gurtu and A. Gurtu, Pragati Prakashan, 8th edition, Principles of Physical Chemistry, B. Puri, L. Sharma and M. Pathania, Vishal Publishers co.

Molecular thermodynamics, Donald A. McQuarrie, John D. Simon University Science Books, California, Polymer Science, V. Gowarikar, N. Sreedhar, New age International P Ltd.

Cited article:

First edition. Reprint Thermodynamics, Rajaram and J. Kuriacose, Shobhanlal Publishers Reaction Kinetics 18 31 2. Kinetics And Mechanism 47 Of Polymerization 3. Non-Equilibrium 6 10 Thermodynamics 29 5. Statistical 17 70 Thermodynamics Total marks excluding bonus questions Total marks including bonus questions 35 P G C h e m i s t r y S y l l a b u s 2 0 1 8. Solvents; terminology: chromophores; auxochromes; bathochromic shift; hypsochromic shift, hyperchromic shift, hypochromic shift. Effect of conjugation on the spectra of alkenes. Woodward — Fieser rules for polyenes.

Electronic spectra of carbonyl compounds. Energy, frequency, wave number relationship. Infrared absorption process. Principle of IR analysis, Uses of infrared spectrum. Modes of stretching and bending vibrations. Bond properties and absorption trends. Instrumentation of IR spectrometer: Dispersive and Fourier transform spectrometers. Preparation of samples for IR analysis. Analysis of an IR spectrum at a glance. Survey of functional groups with examples. Alcohols and phenols, ethers: Detailed discussion on O — H stretching vibration, effect of hydrogen bonding effect of solvent polarity and concentration.

Effect of electron withdrawing groups, inductive, resonance, hydrogen bonding, conjugation, ring size. General discussions of IR absorption characteristics of aldehydes, ketones, carboxylic acids, esters ketones and amides, acid anhydrides and chlorides.

IR spectra of nitriles and phosphorous compounds, structure determination of simple molecules. Low and high resolution spectra of ethanol — chemical exchange; NMR spectra of amides. AX2 and A2B2. A2X2 Spin Systems. Proton-Decoupled C - 13 spectra; nuclear overhauser enhancement.

Cross-Polarization: Origin of the nuclear overhauser effect; Problems with Integration in C - 13 spectra. Molecular relaxation processes; off- resonance decoupling. Combined spectral problems Self study. The DEPT experiment: number of protons attached to C - 13 atoms; determining the number of attached hydrogens. How to read COSY spectra. Problem solving Self study 6. Determination of molecular weight and molecular formula.

Carbocation: stability, types of fragmentation patterns: single bond, multiple bonds, McLafforty rearrangement, retro Diels-Alder. General discussions on the fragmentation patterns of alkanes, alkenes, aromatic hydrocarbons, 37 P G C h e m i s t r y S y l l a b u s 2 0 1 8. Structure determination of molecules.

Magnetic splitting, applications of MS. Physical methods in Inorganic chemistry, R. Infrared Spectra of Inorganic and co-ordination Compounds, K. Nakamoto, Wiley- Interscience, New York, Vibrational spectroscopy: theory and Applications, D. Electronic Absorption Spectroscopy and related techniques, D. Sathyanarayana, Universities Press, Bangalore, Applications of absorption Spectroscopy to Organic Compounds, J. Dyer, Prentice — Hall, New Delhi, Organic Spectroscopy, W.

Spectrometric Identification of Organic Compounds, R. Silverstein and W. Organic Mass Spectroscopy, K. Dass and E. Mass Spectrometry of Organic Compounds, H. Budzkiewicz, Djerassi C. Principles of Instrumental Analysis, D. Skoog, S. Holler, T.

Sem 2 PG PChem

Pavia, Gary M. Lampman and George S. Kriz and James R. Cengage Learning Physical Methods for Chemists, R.

Rotational Constants Of Diamagnetic Diatomic Linear Symmetric Top Molecules

Davies, M. Frearson and E. Derome, Oxford Pergamon Press, Williams and I. Code number and Title of the paper: CH ; Spectroscopic Methods of Analysis — II Chapter Title Number of Maximum marks for Number teaching hours which questions are to As mentioned in the syllabus be framed from this chapter including bonus questions 1.

UV and Visible 6 10 Spectroscopy 2. Infrared Spectroscopy 8 14 3. NMR Spectroscopy 17 29 4. Carbon—13 NMR 7 12 Spectroscopy 9 5. Advanced NMR 5 14 Techniques 10 5 6. Mass Spectrometry 8 70 7.

Electron Paramagnetic 6 Resonance Spectroscopy 8. Mossbauer Spectroscopy 3 Total marks excluding bonus questions Total marks including bonus questions 40 P G C h e m i s t r y S y l l a b u s 2 0 1 8. GC-MS- transmission quadrupole mass spectrometer - selected ion monitoring. Self study: Nitrogen phosphorous detector, flame photometric detector, photoionisation detector, Element specific plasma detectors. Derivatives for HPLC.

Rotational Constants of Diamagnetic Diatomic, Linear, Symmetric Top Molecules · 1 Introduction

Ion Chromatography-Suppressed ion —anion and Cation chromatography-Ion chromatography without suppression-detectors-Ion pair chromatography Molecular exclusion chromatography-the elution equation, stationary phase, molecular mass determination. Affinity chromatography -principle-matrix, ligand, spacer arm-properties required for efficient and effective chromatographic matrix-partial structure of agarose-Types of ligands- need of spacer arm.

Chiral separations-Chiral phases Amylose, crown ethers and cyclodextrins -Ligand Exchange chromatography- prikle brush type phases. Self study : Dissolving samples for analysis-dissolving inorganic material by acids, dissolving inorganic material by fusion, dissolving organic substances, decomposition of organic substances-sample preparation techniques- solvent extraction, supercritical fluid extraction, preconcentration and derivatisation. Quantitative Chemical Analysis, Daniel C.

Harris, 7th edition. Freeman and Company, New York, Smith, Royal Society of Chemistry, Code number and Title of the paper: CH ; Separation Techniques Chapter Title Number of Maximum marks for Number teaching hours which questions are to As mentioned in the syllabus be framed from this chapter including bonus questions 1. Solvent Extraction 5 11 2. Theoretical Aspects Of 6 14 Chromatography 3. Gas Chromatography 8 18 4.

Liquid Chromatography 8 18 24 5. Liquid Chromatographic 10 Methods 2 6. Supercritical Fluid 1 2 Chromatography 5 7. Thin Layer 2 Chromatography 9. Sample Preparation 4 Total marks excluding bonus questions Total marks including bonus questions 44 P G C h e m i s t r y S y l l a b u s 2 0 1 8. Determination of the velocity constant, catalytic coefficient, temperature coefficient, energy of activation and Arrhenius parameters for the acid hydrolysis of an ester by volumetry. Determination of rate constant for the oxidation of alcohol by colorimetry. Determination of partial molal volume of ethanol by reciprocal density method.

Degree of hydrolysis of aniline hydrochloride. Saponification of ethyl acetate by conductometric method. Evaluation of rate constant of first order reaction by potentiometry. Estimation of urea by enzyme hydrolysis using conductance method Experiment to be designed by students. Physical Chemistry Practical II 1. Determination of dissociation constant of a weak acid or weak base by conductometry.