Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride
Název česky | Studie vibrační spektroskopie a ab initio kalkulace 2-kyanfenylisokyanid dichloridu |
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Autoři | |
Rok publikování | 2007 |
Druh | Článek v odborném periodiku |
Časopis / Zdroj | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
Fakulta / Pracoviště MU | |
Citace | PAZDERA, Pavel, Hema Tresa VARGHESE, C. Yohannan PANICKER a Daizy PHILIP. Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Elsevier, 2007, roč. 67, č. 4, s. 1055 - 1059. ISSN 1386-1425. |
Obor | Fyzikální chemie a teoretická chemie |
Klíčová slova | FT-Raman; FT-IR; HF ab initio calculation; Cyano |
Popis | 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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