Question

mot of H2o molecule​

Answer 1

Answer:

mot of water molecule

Explanation:

The five occupied and the lowest three unoccupied molecular orbitals of the isolated molecule (1a1)2(2a1)2(1b2)2(3a1)2(1b1)2(4a1)0(2b2)0(3b2)0 were calculated using the Restricted Hartree-Fock wave function (RHF) using the 6-31G** basis set. b (experimental data is given in [1289]). They are set out with the lowest energy (that is, most negative energy) molecular orbitals at the bottom. They are all given in the xz plane (z-axis upwards) except 1b1 and 3a1, which are in the yz plane (z-axis upwards).a The two lowest energy orbitals 1a1(non-bonding) and 2a1 (bonding) are contributed from the 1s (completely) and 2s (mostly) orbitals of the oxygen atom, respectively, and are consequentially approximately spherical. The three highest energy occupied orbitals (1b2 bonding, 3a1 non-bonding, 1b1 non-bonding) are orthogonal around the oxygen atom and without obvious sp3 hybridization characteristics