... T.; Nguyen, M T Phys Chem Chem Phys 2009, 11, 926 (39) Bunte, S W.; Rice, B M.; Chalalowski, C F J Phys Chem A 1997, 101, 9430 J Phys Chem A, Vol 113, No 13, 2009 3253 (40) Liu, Y.; Liu, W Q.; ... these bonds will Blue Shifts of C-H and N-H Stretching Frequencies J Phys Chem A, Vol 113, No 13, 2009 3247 TABLE 2: Calculated C-H Bond Length (r, in Å) and Proton Affinity (PA, in kJ · mol-1) ... cm-1 (asymmetric mode) for the latter, calculated at the MP2/ 3248 J Phys Chem A, Vol 113, No 13, 2009 6-311++G(2d,2p) level of theory Furthermore, Yang and coworkers40 reported a contraction of...