Schwingungseigenschaften einiger Transplutonium-Orthophosphate / Vibrational Properties of Some Transplutonium Orthophospliates

1983 ◽  
Vol 38 (10) ◽  
pp. 1152-1153 ◽  
Author(s):  
Enrique J. Baran
Keyword(s):  
Force Constants ◽  
Vibrational Properties ◽  
Mean Amplitudes Of Vibration ◽  
Lanthanide Orthophosphates

Abstract The force constants and mean amplitudes of vibration for the PO43- ions present in the AnPO4 lattices (An = Am, Cm. Bk, Cf, Es) have been calculated from recently reported Raman data. Some comparisons made with the structurally related lanthanide orthophosphates show an analogous vibrational behaviour for both series of compounds.

Notizen:Schwingungseigenschaften des TeO42- -Ions/ Vibrational Properties of the TeO42--Ion

1978 ◽  
Vol 33 (10) ◽  
pp. 1226-1227
Author(s):  
Enrique J. Baran
Keyword(s):  
Force Field ◽  
Related Species ◽  
Force Constants ◽  
Vibrational Properties ◽  
Bond Orders ◽  
Mean Amplitudes Of Vibration ◽  
Valence Force ◽  
Valence Force Field ◽  
Complete Assignment

Abstract A complete assignment of the fundamental vibrations of the tetrahedral TeO42- ion is proposed and its principal force constants have been calculated using the modified valence force field. Mean amplitudes of vibration and bond orders are also estimated. The results are briefly discussed and some comparisons with related species are made.

Notizen: Schwingungseigenschaften und thermodynamische Funktionen von Mn2O7

1987 ◽  
Vol 42 (3) ◽  
pp. 307-309 ◽  
Author(s):  
Enrique J. Baran
Keyword(s):  
Thermodynamic Functions ◽  
Related Species ◽  
Molecular Model ◽  
Force Constants ◽  
Vibrational Properties ◽  
Mean Amplitudes Of Vibration ◽  
Infrared Data

Vibrational Properties and Thermodynamic Functions of Mn2O7The main force constants for Mn2O7 have been calculated from recently reported infrared data, using a simplified molecular model. Mean amplitudes of vibration and thermodynamic functions are also reported. The results are briefly discussed and some comparisons with related species are made.

Schwingungseigenschaften der Tetrahalogenooxotechnetate (V) / Vibrational Properties of the Tetrahalogenooxotechnetates ( V)

1983 ◽  
Vol 38 (5) ◽  
pp. 563-565 ◽  
Author(s):  
Enrique J. Baran ◽  
Carmen I. Cabello
Keyword(s):  
Vibrational Spectra ◽  
Force Constants ◽  
Vibrational Properties ◽  
Mean Amplitudes Of Vibration ◽  
Complete Assignment

A complete assignment of previously reported vibrational spectra of the TcOX4- (X = Cl, Br, I) anions is proposed. Based on this assignment, force constants and mean amplitudes of vibration are evaluated and the most prominent aspects of the vibrational behaviour and structural charac­teristics of these species are discussed.

scholarly journals Vibrational Properties of Bismutine, BiH3

2003 ◽  
Vol 58 (2-3) ◽  
pp. 126-128 ◽  
Author(s):  
Enrique J. Baran
Keyword(s):  
Thermodynamic Functions ◽  
Spectroscopic Data ◽  
Force Constants ◽  
Vibrational Properties ◽  
Mean Amplitudes Of Vibration ◽  
First Time

Structural and vibrational-spectroscopic data of BiH3 have recently been reported for the first time. On the basis of these data the force constants, mean amplitudes of vibration and thermodynamic functions have been calculated. Some comparisons with the structurally related SbH3 molecule are made.

Molecular Force Fields of Some Selenium and Telurium Hexahalide Ions

1970 ◽  
Vol 25 (4) ◽  
pp. 566-569
Author(s):  
M. N. Avasthi ◽  
M. L. Mehta
Keyword(s):  
Matrix Method ◽  
Force Fields ◽  
Force Constants ◽  
Mean Amplitudes Of Vibration ◽  
Molecular Force

Abstract Wilson's GF matrix method has been used to evaluate all the seven independent force constants of some XY6 type ions using Müller's mathematical constraint. Mean amplitudes of vibration and Bastiansen-Morino shrinkages have also been calculated for these ions.

Das ν1/ν3-Frequenzen-Verhältnis bei tetraedrischen Oxoanionen der Hauptgruppen- elemente und die Schwingungseigenschaften von Xenon-Tetroxid / The ν1/ν3 Frequency Ratio in Tetrahedral Oxoanions of The Main Group Elements and the Vibrational Properties of Xenon-Tetroxid

1972 ◽  
Vol 27 (6) ◽  
pp. 1000-1004 ◽  
Author(s):  
Enrique J. Baran
Keyword(s):  
Periodic System ◽  
Related Species ◽  
Frequency Ratio ◽  
Bond Order ◽  
Main Group ◽  
Vibrational Properties ◽  
Coriolis Coupling ◽  
Coupling Constant ◽  
Main Group Elements ◽  
Mean Amplitudes Of Vibration

AbstractIn an earlier work we have theoretically derived and explained certain rules relating the ν1/v3 frequency ratio of tetrahedral oxoanions of the transition metals with some basic properties of the anions. It is now demonstrated that these rules are also valid for oxoanions of the main group elements of the periodic system. Applying these and other relations it was possible to predict the value of the symmetric stretching frequency ν1(A1) of xenon tetroxide. Some vibrational properties of XeO4 (force constants, mean amplitudes of vibration, the Coriolis coupling constant and the bond order) are also calculated and compared with those of related species.

scholarly journals Schwingungseigenschaften der XF63- Anione (mit X = AI, Ga, In, TI)

1981 ◽  
Vol 36 (6) ◽  
pp. 677-679 ◽  
Author(s):  
Enrique J. Baran ◽  
Araceli E. Lavat
Keyword(s):  
Related Species ◽  
Force Constants ◽  
Mean Amplitudes Of Vibration ◽  
Different Temperatures

Abstract The principal force constants for the title anions have been calculated using the GVFF. Mean amplitudes of vibration, at different temperatures are also estimated. The results are briefly discussed and some comparisons with related species are made

Schwingungsberechnungen des Hexathiometadiphosphatanions P2S62-

1988 ◽  
Vol 43 (5) ◽  
pp. 494-496 ◽  
Author(s):  
Lothar Ohse ◽  
Wolfgang Brockner
Keyword(s):  
Potential Energy ◽  
Energy Distribution ◽  
Force Field ◽  
Field Potential ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
Normal Coordinate ◽  
Mean Amplitudes Of Vibration ◽  
Initial Force

A normal coordinate analysis for the Hexathiometadiphosphate anion P2S62- was performed, based on a simple initial force field. The force field was refined by adjusting the symmetry force constants to approximate the observed frequencies. The final force field, potential energy distribution (PED) and mean amplitudes of vibration are also given. Based on the normal coordinate analysis a new assignment of the P2S62- frequencies is proposed.

Harmonie Force Fields and Bond Orders for Naphthalene, Anthracene, Biphenylene and Perylene with Mean Amplitudes for Perylene

1978 ◽  
Vol 33 (1) ◽  
pp. 45-54 ◽  
Author(s):  
J. C. Whitmer ◽  
S. J. Cyvin ◽  
B. N. Cyvin
Keyword(s):  
Force Field ◽  
Force Fields ◽  
Field Approximation ◽  
Force Constants ◽  
Bond Orders ◽  
Mean Amplitudes Of Vibration ◽  
Complete Set ◽  
First Time ◽  
The Relationship ◽  
Good Agreement

Complete normal coordinate analyses were performed for naphthalene, anthracene, biphenylene and perylene, starting from a simple force field with seven adjustable force constants. A relationship between bond orders and carbon-carbon stretching force constants was deduced from: (a) bond distances as a function of bond orders, (b) a version of Badger's rule relating stretching force constants to the bond distances. The relationship was used to modify the initial seven-parameter force field, and the vibrational frequencies calculated from both the initial and modified force fields are discussed. In general the simple force field approximation produces sets of frequencies in remarkably good agreement with experimental assignments. The force field approximation failed badly when applied to benzene. No obvious explanation was found for this unexpected feature, which makes it worth while to continue the investigations. The mean amplitudes of vibration were calculated. For perylene an account of the complete set of mean amplitudes is given for the first time.

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.

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