VIBRATIONAL-SPECTRA AND ELECTRON-DIFFRACTION STUDY OF THE STRUCTURE AND INTERNAL-ROTATION OF N,N-DIETHYLCYANAMIDE

Structural parameters, internal rotation parameters, and frequencies o f normal vibrations of N,N-diethylcyanamide were obtained. The geometr ical structure and internal rotation were studied by gas phase electro n diffractometry. The configuration of the bonds of the amine nitrogen atom were found to be close to pyramidal: angle=CNC 111.8 degrees, an gle CNC 109.1 degrees the main bond lengths are (Angstrom): N=C 1.174; =C-N 1.349; C-N 1.479; C-C 1.536. A map of changes in the conformatio n energies due to rotation of ethyl groups around the N-C bonds is con structed Experimental IR and Raman spectra of pure liquid and CCl4 sol ution were measured. The frequencies and forms of normal vibrations ar e calculated, and the force constants are determined.