title: Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride.
abstract: FT-Raman and FT-IR spectra of 2-cyanophenylisocyanid dichloride were recorded and analyzed. The vibrational frequencies of the title compound have been computed using the Hartree-Fock/6-31G* basis and compared with the experimental values. The prepared compound was identified by NMR and mass spectra.
authors.affiliation: Department of Physics, Fatima Mata National College, Kollam 691 001, Kerala, India. h_varghese@rediffmail.com
authors.forename: Hema Tresa
authors.initials: HT
authors.lastname: Varghese
authors.forename: C Yohannan
authors.initials: CY
authors.lastname: Panicker
authors.forename: Daizy
authors.initials: D
authors.lastname: Philip
authors.forename: Pavel
authors.initials: P
authors.lastname: Pazdera
mesh_terms: D002712:Chlorides / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D008956:Models, Chemical; D009570:Nitriles / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D014732:Vibration
chemical_list: D002712:Chlorides; D009570:Nitriles; C019519:phenylisocyanide