Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride.
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.
Varghese
Hema Tresa
HT
Department of Physics, Fatima Mata National College, Kollam 691 001, Kerala, India. h_varghese@rediffmail.com
Panicker
C Yohannan
CY
Philip
Daizy
D
Pazdera
Pavel
P
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
D002712:Chlorides; D009570:Nitriles; C019519:phenylisocyanide