C–H⋯F Hydrogen Bond and Integral Intensities of Vinyl C–H Vibtations in Push-Pull β-Dimethylaminotrifluoromethyl Ketone and Its Deuterated Analog

Table 3

Thermodynamic parameters of =C–H𝛼⋯F−C and =C–H𝛼⋯O=C hydrogen bonds.

Method	=C–H𝛼⋯F−C hydrogen bond		=C–H𝛼⋯O=C hydrogen bond
	−Δ𝐻; kJ mol^−1 dm^3	Δ𝑆; J mol^−1 dm^3 K^−1	−Δ𝐻; kJ mol^−1 dm^3	Δ𝑆; J mol^−1 dm^3 K^−1
From (5)	6.09^a	—	27.48^b	—
From (5)^b	—	—	24.19^c	—
From temperature measurement	6.71±0.10	−213.3±0.4	21.70±0.66	−156.3±2.3

^aUsing 𝐴_C−H𝛼(EE)_mon = 21.77 cm mmol⁻¹, 𝐴_C−H𝛼(EE)_H-complex = 26.70 cm mmol⁻¹.
^bUsing 𝐴_C−H𝛼(EZ)_mon = 14.71 cm mmol⁻¹, 𝐴_C−H𝛼(EZ)_H-complex = 37.00 cm mmol⁻¹.
^cUsing 𝐴_C=O(EE)_mon = 1204.28 cm mmol⁻¹, 𝐴_C=O (EE)_H-complex = 1345.44 cm mmol⁻¹.