Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride

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Authors

PAZDERA Pavel VARGHESE Hema Tresa PANICKER C. Yohannan PHILIP Daizy

Year of publication 2007
Type Article in Periodical
Magazine / Source Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
MU Faculty or unit

Faculty of Science

Citation
Field Physical chemistry and theoretical chemistry
Keywords FT-Raman; FT-IR; HF ab initio calculation; Cyano
Description 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.
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