Abstract
Properties of dihydroxycarbene in its S 0( 1 A 1) and T 1( 3 B) electronic states are investigated using MO methods at basis-set levels including polarization functions and approximations for electron correlation. The energetics of addition reactions and the properties of adducts formed between (HO) 2C and H 2, NO, N 2, O 2 or H 2O are considered. The adducts include methanediol and methanetriol, 3,3-dihydroxydiazirine and dihydroxydiazomethane, dihydroxynitrosomethyl, singlet dihydroxyoxirane, triplet dihydroxydioxymethane, and the dihydroxyketone oxide (HO) 2COO.
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