Thermodynamic study of the deuterium isotope effect in hydrogen-bonded systems

1976 ◽  
Vol 72 (0) ◽  
pp. 1355 ◽  
Author(s):  
Y. P. Handa ◽  
B. I. Mattingley ◽  
D. V. Fenby
Keyword(s):  
Isotope Effect ◽  
Thermodynamic Study ◽  
Deuterium Isotope Effect ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

The Isotope Effect in Hydrogen-Bonded Systems

1998 ◽  
Vol 12 (29n31) ◽  
pp. 3406-3408
Author(s):  
A. Bussmann-Holder ◽  
K.-H. Michel
Keyword(s):  
Transition Temperature ◽  
Isotope Effect ◽  
Proton Tunneling ◽  
Organic Systems ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

The giant isotope effect on the ferro- and antiferroelectric transition temperature upon deuteration of hydrogen-bonded systems is well known experimentally since various decades. Yet, theoretically only recently a microscopic understanding of this effect has been achieved which, specifically, took into account the geometry of the O ⋯ H ⋯ O bond. The implications of this modeling are multiple as numerous hydrogen-bonded organic systems show the same effects as ferro- and antiferroelectrics, i.e., cooperative proton tunneling at a well-defined temperature.

scholarly journals Thermodynamic study of the deuterium isotope effect, the molar excess enthalpies of C6D6 + c-C6H12 and of C6H6 + c-C6H12

1975 ◽  
Vol 28 (1) ◽  
pp. 185 ◽  
Author(s):  
BI Mattingley ◽  
DV Fenby
Keyword(s):  
Isotope Effect ◽  
Thermodynamic Study ◽  
Excess Enthalpies ◽  
Deuterium Isotope Effect ◽  
Molar Excess

Molar excess enthalpies of C6D6 + c-C6H12 and of C6H6 + c-C6H12 have been measured at 298.15 K; the equimolar values are 818.7 and 797.0 J mol-1 respectively.

The methylation effect in amine...HF hydrogen-bonded systems. Quantum chemical and statistical thermodynamic study

1984 ◽  
Vol 88 (24) ◽  
pp. 5923-5927 ◽  
Author(s):  
M. M. Szczesniak ◽  
Pavel Hobza ◽  
Z. Latajka ◽  
H. Ratajczak ◽  
K. Skowronek
Keyword(s):  
Quantum Chemical ◽  
Thermodynamic Study ◽  
Statistical Thermodynamic ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

A ground state morphed intermolecular potential for the hydrogen bonded and van der Waals isomers in OC:HI and a prediction of an anomalous deuterium isotope effect

2010 ◽  
Vol 133 (18) ◽  
pp. 184305 ◽  
Author(s):  
Luis A. Rivera-Rivera ◽  
Zhongcheng Wang ◽  
Blake A. McElmurry ◽  
Fabrice F. Willaert ◽  
Robert R. Lucchese ◽  
...  
Keyword(s):  
Isotope Effect ◽  
Ground State ◽  
Van Der Waals ◽  
Intermolecular Potential ◽  
Deuterium Isotope Effect ◽  
Hydrogen Bonded
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