Thermodynamic properties of gas-phase hydrogen-bonded complexes

1988 ◽  
Vol 88 (6) ◽  
pp. 827-841 ◽  
Author(s):  
L. A. Curtiss ◽  
M. Blander
Keyword(s):  
Thermodynamic Properties ◽  
Gas Phase ◽  
Bonded Complexes ◽  
Hydrogen Bonded

scholarly journals Accurate thermodynamic properties of gas phase hydrogen bonded complexes

2016 ◽  
Vol 18 (34) ◽  
pp. 23831-23839 ◽  
Author(s):  
Anne S. Hansen ◽  
Zeina Maroun ◽  
Kasper Mackeprang ◽  
Benjamin N. Frandsen ◽  
Henrik G. Kjaergaard
Keyword(s):  
Complex Formation ◽  
Thermodynamic Properties ◽  
Equilibrium Constant ◽  
Gas Phase ◽  
Accurate Determination ◽  
Enthalpy Of Complex Formation ◽  
Bonded Complexes ◽  
Hydrogen Bonded

The increase in temperature causes a decrease in equilibrium constant, which makes accurate determination of the enthalpy of complex formation possible.

Gas phase observation of the first overtone of the H—F stretching fundamental in hydrogen bonded complexes

1979 ◽  
Vol 57 (11) ◽  
pp. 1341-1349 ◽  
Author(s):  
J. W. Bevan ◽  
B. Martineau ◽  
C. Sandorfy
Keyword(s):  
Gas Phase ◽  
Coupling Constant ◽  
Phase Observation ◽  
Stretching Vibration ◽  
Stretching Vibrations ◽  
Anharmonicity Constants ◽  
Bonded Complexes ◽  
Hydrogen Bonded

First overtones of H—F and D—F stretching vibrations in hydrogen bonded complexes with dimethylether, diethylether, and acetone have been measured in the gas phase. The assignment of the observed bands is discussed together with previously made observations on the fundamentals. Anharmonicity constants of the order of −200 and −100 cm−1 are determined for the most probable assignments from the available data for the H—F and D—F stretching vibrations (ν1) while their values in the "free" H—F and D—F molecules are −90 and −46 cm−1 respectively. The spectra are compatible with a coupling constant between the ν1 and the bridge stretching vibration (ν3) of the order of +70 cm−1.

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