938074-40-9Relevant academic research and scientific papers
Titanium, zirconium, and hafnium metal atom reactions with CF4, CCl4, and CF2Cl2: A matrix isolation spectroscopic and DFT investigation of triplet XC÷MX3 complexes
Lyon, Jonathan T.,Andrews, Lester
, p. 2519 - 2527 (2007)
Laser-ablated group 4 transition metal atoms react with CF4 to form triplet state electron-deficient FC÷MFa methylidyne complexes, which are identified by their infrared spectra and comparison to density functional vibrational frequency calculations of stable possible products. Of particular interest in these complexes are the strong C-X bonds and carbon-metal n bonding. The two unpaired electrons on carbon are drawn to the electron-deficient transition metal center, forming a partially filled triple bond, which is approximately equal in length to a classical C=M double bond. Reactions with carbon tetrachloride form the analogous ClC÷MCl3 complexes, whereas reactions with CF2Cl2 form a mixture of FC÷MFCl2 and ClC÷MF2Cl species. The FC÷MFCl2 complexes involving more α-Cl transfer are favored in the reaction of excited metal atoms during sample deposition, but UV irradiation photoisomerizes FC÷MFCl2 to the lower energy ClC÷MF2Cl complexes with more α-F transfer to the metal center.
