Tayyari SF1, Habibi MH2, Shojaee E2, Jamialahmadi M3, Sammelson RE4, Wada K5, Suzuki T5.
Spectrochim Acta A Mol Biomol Spectrosc. 2015 Mar 15;139:94-101. doi: 10.1016/j.saa.2014.12.019. Epub 2014 Dec 18.Trans-bis(acetylacetonato)-bis(4-methylpyridine)cobalt(III)hexafluorophosphate, [AMPC]PF6, was synthesized and characterized by X-ray diffraction and vibrational spectroscopy. The title compound C22H28N2O4Co crystallizes with Z=2 in space group P-1 (#2). The molecular structure and vibrational spectra of this compound were investigated by means of density functional theory (DFT) calculations and the results were compared with the experimental data. Read More