Terahertz Spectroscopy of Dicyanobenzenes: Anomalous Absorption Intensities and Spectral Calculations
Okan Esenturk, Ari Evans, Edwin J. Heilweil
Terahertz (THz) absorption spectra of the three isomeric structures of dicyanobenzene obtained from chloroform solutions and the solid phase at 298 K are reported. These spectra exhibit enhanced absorption cross-sections over those measured for most organic systems and are compared to isolated molecule vibrational spectral calculations using Density Functional Theory. Strong experiment and calculation agreement suggest that all internal vibrational modes are readily assigned and comparison to liquid-phase spectra identifies solid-state phonon modes in these weakly associated systems.
, Evans, A.
and Heilweil, E.
Terahertz Spectroscopy of Dicyanobenzenes: Anomalous Absorption Intensities and Spectral Calculations, Chemical Physics Letters, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=841055
(Accessed December 11, 2023)