- Vibrational spectroscopic studies and ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid--C12H10ClN3O.
Vibrational spectroscopic studies and ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid--C12H10ClN3O.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2008-03-21)
Y Sheeena Mary, Hema Tresa Varghese, C Yohannan Panicker, Martin Dolezal
PMID18353710
摘要
A substituted amide of pyrazine-2-carboxylic acid was prepared and the IR spectrum is recorded and analysed. The vibrational frequencies and corresponding vibrational assignments are examined theoretically using the Gaussian03 set of quantum chemistry codes. Predicted infrared and Raman intensities are reported.
材料