Calculation of thermodynamic functions of halogen derivatives of silane and germane

1984 ◽  
Vol 49 (5) ◽  
pp. 1211-1227 ◽  
Author(s):  
Michal Bureš ◽  
Čestmír Černý
Keyword(s):  
Thermodynamic Functions ◽  
Atmospheric Pressure ◽  
Ideal Gas ◽  
Critical Examination ◽  
Rigid Rotator ◽  
Relative Enthalpy ◽  
Harmonic Oscillator Approximation ◽  
Experimental Values ◽  
Derivatives Of ◽  
The Ideal

Molar heat capacity, absolute entropy, relative enthalpy and relative Gibbs energy were calculated for all halogen derivatives of silane and germane. The calculation was performed for the ideal gas state at atmospheric pressure in the temperature range 100 to 1 500 K in the usual rigid rotator - harmonic oscillator approximation. In the case of molecules where the necessary experimental values of fundamental vibrational frequencies were missing, the calculation was performed using the predicted frequencies. On the basis of the values of molar heat capacities obtained in both these ways, a critical examination of the influence of the inaccuracy of the predicted vibration frequencies on the accuracy of calculated ideal gas thermodynamic functions was made.

The combined effect of lattice’s uniaxial strains and electron–phonon interaction’s screening on TBEC of the intersite bipolarons

2016 ◽  
Vol 30 (26) ◽  
pp. 1650186
Author(s):  
B. Yavidov ◽  
SH. Djumanov ◽  
T. Saparbaev ◽  
O. Ganiyev ◽  
S. Zholdassova ◽  
...  
Keyword(s):  
Ideal Gas ◽  
Einstein Condensation ◽  
Chain Model ◽  
One Dimensional ◽  
Electron Phonon Interaction ◽  
Model Lattice ◽  
Experimental Values ◽  
Bose Einstein ◽  
Derivatives Of ◽  
The Ideal

Having accepted a more generalized form for density-displacement type electron–phonon interaction (EPI) force we studied the simultaneous effect of uniaxial strains and EPI’s screening on the temperature of Bose–Einstein condensation [Formula: see text] of the ideal gas of intersite bipolarons. [Formula: see text] of the ideal gas of intersite bipolarons is calculated as a function of both strain and screening radius for a one-dimensional chain model of cuprates within the framework of Extended Holstein–Hubbard model. It is shown that the chain model lattice comprises the essential features of cuprates regarding of strain and screening effects on transition temperature [Formula: see text] of superconductivity. The obtained values of strain derivatives of [Formula: see text] [Formula: see text] are in qualitative agreement with the experimental values of [Formula: see text] [Formula: see text] of La[Formula: see text]Sr[Formula: see text]CuO4 under moderate screening regimes.

DERIVATIVES OF MONOGERMANE: PART I. THE VIBRATION–ROTATION SPECTRA OF GERMYL FLUORIDE AND BROMIDE

1962 ◽  
Vol 40 (4) ◽  
pp. 579-589 ◽  
Author(s):  
J. E. Griffiths ◽  
T. N. Srivastava ◽  
M. Onyszchuk
Keyword(s):  
Harmonic Oscillator ◽  
Infrared Absorption ◽  
Thermodynamic Functions ◽  
Low Frequency ◽  
Rotational Constant ◽  
Rigid Rotator ◽  
Harmonic Oscillator Model ◽  
Infrared Absorption Spectra ◽  
Vibration Rotation ◽  
Derivatives Of

The vibration–rotation infrared absorption spectra of germyl fluoride and bromide have been observed. All of the fundamentals in GeH3F were located, and the rotational structure of the E-type bands were resolved and analyzed. The low-frequency band, ν3(a1), in GeH3Br was not observed but an estimate of its position was made from the frequencies of the combination band ν3 + ν6 and of ν6. The rotational constant A″ and the Coriolis constants ζ4, ζ5, and ζ6 were calculated for both molecules, and agreement with microwave A″ values was satisfactory. Thermodynamic functions based upon a rigid-rotator, harmonic-oscillator model have been evaluated for germyl fluoride and bromide.

Kraftkonstanten, mittlere Schwingungsamplituden, Coriolis-Kopplungskonstanten und thermodynamische Funktionen der Moleküle WOCl4 und WOBr4 / Force Constants, Mean Amplitudes, Coriolis Coupling Constants, Thermodynamic Functions, WOCl4 , WOBr4

1974 ◽  
Vol 29 (4) ◽  
pp. 620-623 ◽  
Author(s):  
W. Brockner ◽  
H. Hovdan ◽  
S. J. Cyvin
Keyword(s):  
Thermodynamic Functions ◽  
Ideal Gas ◽  
Force Constants ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Mean Amplitudes Of Vibration ◽  
Amplitude Correction ◽  
Different Temperatures ◽  
Harmonic Oscillator Approximation ◽  
The Mean

A normal co-ordinate analysis of the molecules W 0Cl4 and WOBr4 has been carried out following W ilson’s FG matrix method. Valence force constants based on known (WOCl4) and estimated (WOBr4) molecular parameters have been evaluated. The results support the assignment of the known Raman spectra of W0Cl4 . Also the mean amplitudes of vibration and the perpendicular amplitude correction coefficients K have been computed for the temperatures T = 0 and T = 298 °K. Furthermore the Coriolis coupling constants of the ζz(EaxEb)- type have been determined. Some thermodynamic functions have also been calculated for an ideal gas state at one atmosphere pressure and different temperatures using the rigid rotor harmonic oscillator approximation.

Excess molar enthalpies of mixtures of methyl derivatives of polyethylene glycol with 1-alkanol at 298.15 K and 101.3 kPa

2002 ◽  
Vol 80 (5) ◽  
pp. 462-466 ◽  
Author(s):  
M EF de Ruiz Holgado ◽  
J Fernandez ◽  
M I Paz Andrade ◽  
E L Arancibia
Keyword(s):  
Polyethylene Glycol ◽  
Atmospheric Pressure ◽  
Excess Enthalpy ◽  
Monomethyl Ether ◽  
Excess Molar Enthalpies ◽  
Tetraethylene Glycol ◽  
Calvet Microcalorimeter ◽  
Methyl Derivatives ◽  
Experimental Values ◽  
Derivatives Of

Excess molar enthalpies (H E) of the binary mixtures containing tetraethylene glycol dimethyl ether (TEGDME) or polyethylene glycol 350 monomethyl ether with a 1-alkanol (1-propanol, 1-butanol, or 1-pentanol) at 298.15 K and atmospheric pressure were measured using a Calvet microcalorimeter. All the H E experimental values were positive and increase as the 1-alkanol length increases. The results are discussed qualitatively in terms of molecular interactions. The UNIFAC and DISQUAC group contribution models have been used to compare the predicted and the experimental values.Key words: excess enthalpy, 1-alkanol, polyether, binary system.

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