Infrared and Raman spectral signatures of aromatic nitration in thermoplastic urethanes.

The spectral signatures of nitro attack of the aromatic portion of thermoplastic urethanes (TPU) were determined. Eight fragment molecules were synthesized that represent the nitrated and pristine methylenediphenyl section common to many TPUs. Infrared (IR) and Raman (785 nm illumination) spectra were collected and modeled using the B3LYP/6-31G(d)//B3LYP/6-31G(d) model chemistry.