Weak hydrogen bonds C–H⋯S and C–H⋯F–C in the thiirane–trifluoromethane dimer

Internal rotation effects in the pulsed jet rotational spectrum of the trifluoromethane–carbon dioxide dimer

“…This barrier is in the middle of the range (which extends up to 70 cm À1 ) observed for previous TFM complexes [4][5][6][7] indicating some degree of attractive interaction between the rotating group and the second monomer (if one assumes, as suggested by chemical intuition, that a stronger interaction would lead to a higher barrier).…”

“…Complexes of FM and TFM also have the possibility of a three-fold internal rotation of the monomer subunit, with the barrier to this rotation giving an indication of the strength of the secondary interactions between the methane unit and the other monomer. In previous studies, Caminati and Alonso have measured barriers for a number of TFM complexes with non-linear molecules (oxirane [4], thiirane [5], fluoromethane [6], benzene [7], etc.) of up to 70 cm À1 .…”

Microwave Spectrum, Dipole Moment, and Internal Dynamics of the Methyl Fluoride−Carbonyl Sulfide Weakly Bound Complex

“…A series of P cc values can then be generated by using W 00 (2) values from the table in Appendix C of ref 26; a plot of P cc as a function of the associated s value (the reduced barrier) allows the reduced barrier (corresponding to the experimentally observed P cc value) to be identified. The reduced barrier can finally be converted to a V 3 barrier using the expression Using this approach, the experimental planar moment for the normal isotopic species of -0.21938 u Å 2 (for a structure resembling structure II) is reproduced when a reduced barrier, s, of approximately 1.07 is used, corresponding to a V 3 value of 13 cm -1 .…”

“…Data on complexes of trifluoromethane (HCF 3 , TFM) [1][2][3][4][5][6] and difluoromethane (H 2 CF 2 , DFM) 7-11 form a reasonably large body of information in the literature, while studies on the monosubstituted methyl fluoride are relatively scarce. 3 The methyl fluoride complex with trifluoromethane, H 3 CF-TFM, 3 provides a particularly interesting example as a result of multiple C-H‚‚‚F links.…”

The Cage Structure of IndanCHF3 is Based on the Cooperative Effects of CH⋅⋅⋅π and CH⋅⋅⋅F Weak Hydrogen Bonds

“…Indeed, CÀH···O, CÀH···F-C, CÀH···N, CÀH···S, and CÀH···p linkages were characterizedb yi nvestigating the rotational spectra of molecular complexes of CHF 3 with several organic molecules in supersonic jets. [4][5][6][7][8][9][10][11][12] Otheri nteresting features of the spectra of this kind of complex are due to the internal dynamics of CHF 3 , that is the internal rotation aroundits C 3 symmetry axis.…”