Vibrational Properties of Tellurium Tetrachloride
نویسنده
چکیده
Z. Naturforsch. 60a, 408 – 410 (2005); received March 2, 2005 On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl4 and structural parameters of TeCl4, an estimation of its main force constants complemented with the calculation of mean amplitudes of vibration in a wide temperature range have been performed. Also thermodynamic functions for the ideal gaseous state of the molecule calculated, using the statistical mechanics approach.
منابع مشابه
Effect of Thickness on the Structural Properties of Tellurium Film Prepared by Thermal Evaporation
In this research, tellurium (Te) film with thicknesses of 100-250 nm were deposited on ceramic substrates by thermal evaporation at 373 K. The thickness of the film was determined by Rutherford backscattering spectroscopy. The influence of the thickness on the structural, morphological and molecular bonds was characterized using XRD, scanning electron microscope, and Raman spectroscopy. The XRD...
متن کاملThe Correlation between Molecular Graph Properties and Vibrational Frequencies
It seems that the general applicability of the quantum theory of atoms in molecules (QTAIM) oncharacterizing the bonded interactions is still questionable even afier 30 years since its formulation. Fordemonstrating the generality of bonding schemes in QTA IM, ea( isomers were chosen as the modelsystems and the results from molecular charge density analysis and vibrational normal modes werecompa...
متن کاملThe Prediction of Thermo Physical, Vibrational Spectroscopy, Chemical Reactivity, Biological Properties of Morpholinium Borate, Phosphate, Chloride and Bromide Ionic Liquid: A DFT Study
In the light of computational chemistry, based on morpholinium cation-based Ionic Liquid, their different types of physical, chemical, and biological properties is highlighted. The physical properties are evaluated through the Density Functional Theory (DFT) of Molecular Mechanics and also examine the chemical and biological properties. The difference between Highest Occupied Molecular Orbital ...
متن کاملBiological, Electronic, NLO, NBO, TDDFT and Vibrational Analysis of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide
Biological Electronic, Optical Properties, and Vibrational Analysis of 1-benzyl-4-formyl-1H-pyrrole 3carboxamide are studied by using a combination of DFT/B3LYP method and 6-311G (d, p) basis set. Optimized parameters of the title molecule are well-matched with the experiments. The NLO properties of 1-benzyl-4-formyl-1H-pyrrole 3carboxamide have been examined with the help of Polarizability...
متن کامل