Analysis of the vibrational spectra of halogyclopropanes

Nematic phase nuclear magnetic resonance spectra and vibrationally averaged structures of cyclopropyl chloride, bromide, and cyanide

“…For cyclopropyl chloride and bromide the present assignments are in agreement with those of Aleksanyan et al (19) rather than those reported earlier (17,18). In cyclopropyl cyanide the bands at 1044 and 1124 cm-I were attributed to the C-CN stretch and the A' ring deformation modes respectively (20).…”

“…The vibrational spectra of cyclopropyl chloride, bromide, and cyanide have been reported (17)(18)(19)(20). Approximate force fields were derived for these compounds using the procedure of Cyvin and co-workers (21,22) whereby an initial force field is based upon known force constants transferred from closely related compounds and used to calculate a set of frequencies.…”

Matrix Isolation Infrared and ab Initio Study of the 1:1 Complexes of Bromocyclopropane with NH3 and (CH3)3N: Evidence for a Novel C−H···N Hydrogen Bond

“…Initially, blank experiments were conducted with hydrocarbons and bases, and the resulting spectra were in excellent agreement with literature spectra. [28][29][30][31][32][33][34][35][36][37][38][39][40][41][42] In addition, since small changes from parent to complex were anticipated, blank experiments were performed whenever a new sample was prepared. This ensured a precise comparison between parent and complex spectra for every concentration of reactants studied.…”

“…The second new absorption in the co-deposition spectra is the band which occurs at 814.7 cm -1 with NH 3 and 815.1 cm -1 with (CH 3 ) 3 N. This band occurs 6.2 cm -1 to the blue of the parent band at 808.5 cm -1 with NH 3 and 6.6 cm -1 to the blue of the parent band with (CH 3 ) 3 N. This band is always broader with NH 3 than with (CH 3 ) 3 N. In addition, the parent band itself is shifted by about 1 cm -1 with both NH 3 and (CH 3 ) 3 N. There has been some controversy surrounding the assignment of this parent band at 808 cm -1. While Rothschild 39 and Maillols and Tabacik 40 assign this as the CH(Br) out-of-plane bend, Hirokawa, 41 Aleksanyan, 42 and Wurrey 28 assign it as the CH 2 outof-phase rock. We feel that our results strongly favor the former assignment for several reasons.…”