An abinitio molecular orbital theory study of the structure and stability of the hydrogen bridged radical cation molecule pairs [CH2CHOHOH2]+ and [CH2CHOHOHCH3]+

Abinitio molecular orbital theory was used to determine if C 2 H 6 O 2 +• and C 3 H 8 O 2 +• radical cations represented as hydrogen bridged radical cation molecular pairs, viz. [Formula: see text] and [Formula: see text] can be expected to exist as stable species in the gas phase.The use of several basis sets was explored at the SCF level and it was found that the above species have appreciable stabilisation energies with respect to …