Abstract
According to the open-shell CNDO/2 calculations on ClF2, performed by using the computer programme developed by Pople, Beveridge and Dobosh, the molecule is linear and stable, with equilibrium bond length 1.507Å and binding energy −173.7 kcal/mole. The molecule has a tendency to dimerise and to disproportionate into ClF3 and ClF. The netd-orbital population in the monomer is 0.88. Bonding characteristics and other molecular properties are also discussed.
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Deb, B.M., Mahajan, G.D. & Vasan, V.S. CNDO/2 calculations on the structure and properties of chlorine difluoride. Pramana - J Phys 9, 93–102 (1977). https://doi.org/10.1007/BF02846056
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DOI: https://doi.org/10.1007/BF02846056