Publication details
Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride
| Authors | |
|---|---|
| Year of publication | 2007 |
| Type | Article in Periodical |
| Magazine / Source | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| MU Faculty or unit | |
| 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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