Table 5. Spectral Shifts Induced in Py by Hydrogen Bonding and PyBH3 Complex Formation.
mode | Py | PyBH3 | Δν PyBH3 | X = 0.1 Py/water | Δν X = 0.1 Py/water |
---|---|---|---|---|---|
ν1 | 991 | 1032 | 41 | 1001 | 10 |
ν6a | 603 | 714 | 111 | 615 | 12 |
ν6b | 652 | 651 | –1 | 652 | 0 |
ν12 | 1031 | 1024 | –7 | 1034 | 3 |
ν18a | 1068 | 1093 | 25 | 1069 | 1 |