polymorphism

IR Spectra of Triphenyl Phosphite and Their Interpretation by Molecular Modeling

Authors: Babkov L. M., Davydova N. A., Ivlieva I. V.

Background and Objectives: IR spectra of triphenyl phosphite (TPhPh) were measured in liquid (at 320 K), glassy and glacial phases and in hexagonal (metastable) and monoclinic (stable) crystal phases at 12 K. The observed differences in the spectra is a consequence of the implementation of the conformers of different types in the sample. To substantiate this hypothesis, structurally dynamic models of the three most probable conformers (I –III) were built. The conformers are different in angles of rotation of the phenyl rings around the C-O bonds.

IR Spectra of Salol and theirs Interpretation by Molecular Modeling

Authors: Babkov L. M., Davydova N. A., Ivlieva I. V.

IR spectra of salol have been measured at stable and metastable phases at temperature range from 11 to 298 K. IR spectra are different. We suggest that conformational mobility of salol and influence of H-bonding are responsible for the differences.