Reassignment of the vibrational spectrum of benzimidazole.
New spectroscopic data on benzimidazole and benzimidazole-d2, using inelastic neutron scattering spectroscopy, has revealed previously unobserved bands. These new observations are incorporated into a complete assignment of the benzimidazole spectrum and shown to agree well with ab initio calculations on the system. The new assignment scheme eigenvectors have been correlated to those of indole.
Tomkinson
J
J
Science and Technology Facilities Council, The ISIS Facility, The Rutherford Appleton Laboratory, Chilton OX11 0QX, UK. j.tomkinson@rl.ac.uk
D001562:Benzimidazoles / Q000737:chemistry*; D003903:Deuterium; D033363:Neutron Diffraction; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman
D001562:Benzimidazoles; D003903:Deuterium; C031000:benzimidazole