Vibrational Spectra and Normal Coordinate Calculations for Methyl-1-propynylmercury(II) and Its Deuterated Analogues

Abstract

Abstract Infrared spectra (4000–80 cm−1) of CH3HgC≡CCH3, CD3HgC≡CCH3, CH3HgC≡CCD3, and CD3HgC≡CCD3 have been obtained in carbon tetrachloride, carbon disulfide and benzene solutions, as well as in the solid state at liquid nitrogen temperature. Raman spectra (4000–0 cm−1) have also been recorded on benzene solutions and on solids at room temperature. Assignments for all the fundamentals have been made assuming C3v molecular symmetry. Normal coordinate calculations have been carried out in order to confirm the proposed assignments.