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Physical Sciences and Mathematics Commons

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Chemistry

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Physics Faculty Research & Creative Works

1969

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Full-Text Articles in Physical Sciences and Mathematics

Mössbauer Effect In The Ferroelectric Pbtio₃-Bifeo₃ Solid Solutions, C. M. Yagnik, James P. Canner, Robert Gerson, William Joseph James Nov 1969

Mössbauer Effect In The Ferroelectric Pbtio₃-Bifeo₃ Solid Solutions, C. M. Yagnik, James P. Canner, Robert Gerson, William Joseph James

Physics Faculty Research & Creative Works

The Mössbauer spectra of the system (PbTiO3)0.95(BiFeO3)0.05 have been studied from room temperature to 585°C. From the isomer-shift of 0.491±0.02 mmsec-1 at room temperature, the ionicity is found to be 60% ± 20%. A discontinuity in the plot of isomer-shift versus temperature at Tc is observed. The quadrupole splitting at room temperature is 0.295 ± 0.02 mm/sec-1. A dip in the Mössbauer fraction is observed at the Curie temperature.


Semiempirical Determination Of The Hydrogen Bond Energy For Water Clusters In The Vapor Phase. I. General Theory And Application To The Dimer, Richard W. Bolandee, James L. Kassner, Joseph T. Zung Jan 1969

Semiempirical Determination Of The Hydrogen Bond Energy For Water Clusters In The Vapor Phase. I. General Theory And Application To The Dimer, Richard W. Bolandee, James L. Kassner, Joseph T. Zung

Physics Faculty Research & Creative Works

A simple semiempirical method is given for determining the hydrogen bond energy for water clusters in the vapor phase. This method is based on a general statistical-mechanical theory of clustering. The partition function for a system of clusters is used to determine the equilibrium distribution of clusters. In conjunction with available thermodynamic and spectroscopic data, the cluster equilibrium constants can be used to calculate the cluster potential energy and the hydrogen bond energy. Results for the water dimer agree quite well with other reported values obtained either by quantum-mechanical calculations or approximate thermodynamic estimates. A correct temperature dependence of the …