Partition Function Ratios of the Methyl Halides Differing Only in Isotopic Substitution

1974 ◽  
Vol 52 (17) ◽  
pp. 3078-3082 ◽  
Author(s):  
Jan Bron
Keyword(s):  
Partition Function ◽  
Spectroscopic Data ◽  
Force Fields ◽  
Isotopic Substitution ◽  
Methyl Halides

By using the best available spectroscopic data for the force fields and geometries of the methyl halides, partition function ratios for these species are evaluated as a function of temperature. These ratios are of the type q(AXYZB)/q(12CH3B) in which q is the partition function; A is 12C, 13C, or 14C; X, Y, and Z are either 1H, 2H, or 3H; and B stands for either F, Cl, Br, or I. To the logarithm of these functions at the various temperatures (200–500 K) a curve is fitted with the equation [Formula: see text] All ratios are determined with respect to the unsubstituted 12CH3B molecule. Examples of the utility of the partition function ratios are given.

scholarly journals THERMODYNAMIC BEHAVIOUR OF HYPERSENSITIVE TRANSITION OBSERVED IN SOME THULIUM ION DOPED SYSTEMS

2013 ◽  
Vol 22 ◽  
pp. 660-663
Author(s):  
MAHENDRA VYAS ◽  
PRAVEEN PUROHIT ◽  
GARIMA PRAJAPAT ◽  
H. K. PANDEY
Keyword(s):  
Partition Function ◽  
Thermodynamic Parameters ◽  
Spectroscopic Data ◽  
Thermodynamic Efficiency ◽  
Hypersensitive Transition ◽  
Thermodynamic Behaviour

The Tm(III) doped systems with various ligands studied with respect to hypersensitive transition. The spectroscopic data for hypersensitive transition have been correlated with the thermodynamic parameters. The thermodynamic parameters include thermodynamic efficiency and partition function of the transition.

The Photolysis of Matrix Isolated cis-Thionylimide. 1. The Identification and Infrared Spectra of cis-HOSN, HSNO, and SNO

1975 ◽  
Vol 53 (15) ◽  
pp. 2318-2330 ◽  
Author(s):  
Peter O. Tchir ◽  
Richard D. Spratley
Keyword(s):  
Reaction Time ◽  
Infrared Spectra ◽  
Force Fields ◽  
Reaction Scheme ◽  
Isotopic Substitution ◽  
Mercury Lamp ◽  
Reaction Sequence ◽  
Medium Pressure ◽  
Argon Matrices

cis-HNSO has been photolyzed in argon matrices using a medium pressure mercury lamp. Examination of the infrared spectra has revealed the presence of four photolysis products. With the aid of isotopic substitution these species have been identified as cis-HOSN, cis-HSNO, trans-HSNO, and SNO, all previously unknown. Assignments have been made for all four products and force fields calculated for cis-HOSN and trans-HSNO. The following reaction scheme has been postulated for the photolysis induced process: cis-HNSO → cis-HOSN → cis-HSNO + trans-HSNO → SNO. The extent of this reaction sequence has been found to depend on reaction time and photolysis energy.

scholarly journals Thermodynamical Quantities of Chalcogenide Dimers (O2, S2, Se2, and Te2) from Spectroscopic Data

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Shipra Tiwari ◽  
Pavitra Tandon ◽  
K. N. Uttam
Keyword(s):  
Partition Function ◽  
Spectroscopic Data ◽  
Function Theory ◽  
Diatomic Molecules ◽  
Molecular Motions ◽  
Temperature Range

Attempts have been made to calculate the thermodynamical quantities of diatomic molecules such as O2, S2, Se2, and Te2from spectroscopic data with the help of partition function theory. The results have been calculated in the temperature range 100–3000°C. In order to increase accuracy of the calculated quantities, we have incorporated nonrigidity, anharmonicity, and stretching effects of molecules. The variation of these quantities with temperature have been studied and explained in terms of various modes of molecular motions.

Hybrid High Low Frequency Separation (HLFS) method: Harmonic force fields of methyl halides

1978 ◽  
Vol 28 (10) ◽  
pp. 1157-1163 ◽  
Author(s):  
Annie J. Vallamattam ◽  
K. Babu Joseph ◽  
M. G. Krishna Pillai
Keyword(s):  
Force Fields ◽  
Low Frequency ◽  
Frequency Separation ◽  
Harmonic Force ◽  
Methyl Halides

Models of Cataclysmic Variables from Photometric and Spectroscopic Data

1979 ◽  
Vol 46 ◽  
pp. 65-74 ◽  
Author(s):  
A.C. Fabian ◽  
J.E. Pringle ◽  
J.A.J. Whelan ◽  
J.A. Bailey
Keyword(s):  
Spectroscopic Data ◽  
Cataclysmic Variables ◽  
System Parameters ◽  
Dwarf Nova ◽  
Spectroscopic Observations ◽  
Photometric And Spectroscopic Observations

Abstract.Recent photometric and spectroscopic observations of the dwarf nova system Z Cha are discussed. Methods for constraining the system parameters are applied and the disc emissivity is deduced as a function of radius. Indications are found that the disc shrinks in size with increasing time after outburst.

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