Inorganic Chemistry, Vol.48, No.13, 6297-6302, 2009
Formation and Calculations of the Simple Terminal Triplet Pnictinidene Molecules N divided by MF3, P divided by MF3, and As divided by MF3 (M = Ti, Zr, Hf)
Laser-ablated Ti, Zr, and Hf atoms react with NF3, PF3, or AsF3 to produce triplet state terminal pnictinidene N divided by MF3, P divided by MF3, or As divided by MF3 molecules, which are trapped in an argon matrix. The two unpaired electrons in nitrogen 2p, phosphorus 3p, or arsenic 4p orbitals form very weak degenerate pi alpha molecular orbitals with the metal d orbitals, and one of these is illustrated for the pnictinidene P divided by ZrF3.