Synthesis Experimental and Theoretical Structural and Vibrational Study of 2-(2-furyl)-4,5- Dihydroimidazole.

J. ZINCZUK2, A. E. LEDESMA1, S. A. BRANDÁN1, J. J. LÓPEZ- GONZÁLEZ3, O. E. PIRO4 AND A. BEN ALTABEF1

Estambul

Congreso; XXVIIIth European Congress on Molecular Spectroscopy (EUCMOS XXVIII); 2006

Eucmos

  In this work we reported the synthesis, and the IR, Raman and RMN spectra of 2- (2- furyl)-4, 5-Dihydroimidazole. The crystalline structure was determined by X-Ray diffraction and it was found that the crystals of the above titled species belong to the orthorhombic system as well as to the Pcab space group. The theoretical molecular structure and vibrational properties were obtained using the Density Functional Theory (DFT) method, with the B3LYP functional and the 6-31 G* and 6-311++G** basis sets, as implemented into GAUSSIAN 03.