MATRIX PHOTOCHEMISTRY AND DFT INVESTIGATION OF ANIONIC (eta(5)-C5H5)Cr(CN)(3). INDIRECT OBSERVATION OF 13-S=3/2 Cr(III)

作者：Thornley Wyatt A; Bitterwolf Thomas E^*

来源：Romanian Journal of Chemistry, 2010, 55(11-12): 765-+.

• photochemistry
• DFT caclulations
• chromium

Matrix isolation Fourier transform infrared spectroscopy (FTIR) in polyvinyl chloride film (PVC) at 90 K combined with density functional theory calculations (DFT) has been used to study the photochemical reactivity of 15-electron (S=3/2) [PPh4][CpCr(CN)(3)], Cp = eta(5)-C5H5. Photolysis (450 > lambda > 280 nm) results in loss of CN-. DFT calculations support the generation of neutral 13-electron S=3/2 CpCr(CN)(2). Photolysis of [PPh4][CpCr(CN)(3)] in CH2Cl2 under CO atmosphere and in the presence of excess phosphine afforded only recovery of the parent compound.

• 出版日期2010-12