Vibrational spectrum and structure of nitrosothiocarbamylcyanomethanide ion
The IR spectra (400-4000 cm-1) of the sodium salt of the nonlinear nitrosocontaining acido ligand of a methanide type Na[ONC(CN)C(S)NH2], as well as of the deutero-derivative compound were studied. The frequencies and the forms of the normal vibrations of NaL (the H-form) and NaL (the D form) were calculated in the harmonic approximation of the valence-force field; a theoretical IR spectrum of compound NaL(H) was obtained from the quantum-chemical calculation. The frequencies observed in the spectrum were assigned from the results of the calculation, the force constants of the bonds were analyzed, and were compared with those for the salt of the oxo anion Na[ONC(CN)C(O)NH2]. Various Cu2+ and Ni2+ complexes with a thio ligand were synthesized and the type of coordination of the nonlinear anion was established from the IR spectra.
Khavryuchenko, V. D., O. A. Domashevskaya, N. N. Gerasimchuk, and V. V. Skopenko. "Vibrational spectrum and structure of nitrosothiocarbamylcyanomethanide ion." Theoretical and Experimental Chemistry 24, no. 3 (1988): 303-309.
Theoretical and Experimental Chemistry