Infrared and Raman studies of hydrogen bonded complexes involving acetone, acetophenone and benzophenone—I. Thermodynamic constants and frequency shifts of the νOH and νCO stretching vibrations

1984 ◽  
Vol 40 (3) ◽  
pp. 307-313 ◽  
Author(s):  
R. Thijs ◽  
Th. Zeegers-Huyskens
Keyword(s):  
Frequency Shifts ◽  
Thermodynamic Constants ◽  
Stretching Vibrations ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes

1999 ◽  
Vol 111 (15) ◽  
pp. 6671-6678 ◽  
Author(s):  
B. Silvi ◽  
R. Wieczorek ◽  
Z. Latajka ◽  
M. E. Alikhani ◽  
A. Dkhissi ◽  
...  
Keyword(s):  
Critical Analysis ◽  
Frequency Shifts ◽  
Calculated Frequency ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Spectroscopic and Ab Initio Investigation of C−H⋅⋅⋅N Hydrogen-Bonded Complexes of Fluorophenylacetylenes: Frequency Shifts and Correlations

ChemPhysChem ◽  
2016 ◽  
Vol 17 (16) ◽  
pp. 2509-2515 ◽  
Author(s):  
Arghya Dey ◽  
Sohidul Islam Mondal ◽  
Saumik Sen ◽  
G. Naresh Patwari
Keyword(s):  
Ab Initio ◽  
Frequency Shifts ◽  
Bonded Complexes ◽  
Hydrogen Bonded

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.

Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes

2014 ◽  
Vol 16 (46) ◽  
pp. 25247-25250 ◽  
Author(s):  
Arghya Dey ◽  
Sohidul Islam Mondal ◽  
Saumik Sen ◽  
Debashree Ghosh ◽  
G. Naresh Patwari
Keyword(s):  
Vibrational Frequency ◽  
Stabilization Energy ◽  
Frequency Shifts ◽  
Electrostatic Component ◽  
Stretching Vibration ◽  
Bonded Complexes ◽  
Hydrogen Bonded ◽  
Vibrational Frequency Shifts

The shifts in the acetylenic C–H stretching vibration in the C–H⋯X hydrogen-bonded complexes correlate with the electrostatic component of the stabilization energy.

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