The 2p, orbital may also overlap with the hydrogen 1s orbitals, the (1s,+ 1s,) a, combination and the result is the 3a, molecular orbital this orbital is concentrated along the z-axis and charge density is accumulated in both the bonded and nonbonded sides of the oxygen nucleus. It exerts a binding force similar to that noted before for the 30 orbitals in CH and H Sus.a behaviour on the protons and an antibinding force on the oxygen nucle orbitals. To a first approximation the 1b, molecular orbital will be simply a21s The 2p, orbital is not of the correct symmetry to overlap with the hydroger atomic orbital on the oxygen, perpendicular to the plane of the molecule Therefore, the 1b, orbital does resemble a 2p atomic orbital on oxygen but one which is polarized into the molecule by the field of the protons. The 1b molecular orbital of hbo thus resembles a single component of the lu molecular orbitals of the diatomic hydrides. the 1b, and the lt orbitals are essentially nonbinding. They exert a small binding force on the heavy nuclei because of the slight polarization The force exerted on the protons by the pair of electrons in the 1b, orbital is slightly less than that required to balance the force of repulsion exerted by two of the nuclear charges on the oxygen nucleus The 1b, and 1T electrons basically do no more than partially screen nuclear charge on the heavy nuclei from the protons
The 2pz orbital may also overlap with the hydrogen 1s orbitals, the (1s1 + 1s2 ) a1 combination, and the result is the 3a1 molecular orbital. This orbital is concentrated along the z-axis and charge density is accumulated in both the bonded and nonbonded sides of the oxygen nucleus. It exerts a binding force on the protons and an antibinding force on the oxygen nucleus, a behaviour similar to that noted before for the 3s orbitals in CH and HF. The 2py orbital is not of the correct symmetry to overlap with the hydrogen 1s orbitals. To a first approximation the 1b1 molecular orbital will be simply a 2py atomic orbital on the oxygen, perpendicular to the plane of the molecule. Therefore, the 1b1 orbital does resemble a 2p atomic orbital on oxygen but one which is polarized into the molecule by the field of the protons. The 1b1 molecular orbital of H2O thus resembles a single component of the 1 molecular orbitals of the diatomic hydrides. The 1b1 and the 1 orbitals are essentially nonbinding. They exert a small binding force on the heavy nuclei because of the slight polarization. The force exerted on the protons by the pair of electrons in the 1b1 orbital is slightly less than that required to balance the force of repulsion exerted by two of the nuclear charges on the oxygen nucleus. The 1b1 and 1 electrons basically do no more than partially screen nuclear charge on the heavy nuclei from the protons
In summary, the electronic configuration of the water molecule as determined by molecular orbital theory is 1a212a21b23a21b The la, orbital is a nonbinding inner shell orbital. The pair of electrons in the la, orbital simply screen two of the nuclear charges on the oxygen from the protons. The 2a,, 1b, and 3a orbitals accumulate charge density in the region between the nuclei and the charge densities in these orbitals are responsible for binding the protons in the water molecule. Aside from being polarized by the presence of the protons, the Ib, orbital is a non interacting 2p, orbital on the oxygen and is essentially nonbinding http://www.chemistry.mcmastercalesam/chapter_8/section_6.html
In summary, the electronic configuration of the water molecule as determined by molecular orbital theory is 1a2 1 2a2 1 1b2 2 3a2 1 1b2 1 The la1 orbital is a nonbinding inner shell orbital. The pair of electrons in the la1 orbital simply screen two of the nuclear charges on the oxygen from the protons. The 2a1 , 1b2 and 3a1 orbitals accumulate charge density in the region between the nuclei and the charge densities in these orbitals are responsible for binding the protons in the water molecule. Aside from being polarized by the presence of the protons, the lb1 orbital is a noninteracting 2py orbital on the oxygen and is essentially nonbinding. http://www.chemistry.mcmaster.ca/esam/Chapter_8/section_6.html
C2xEC2(2)o (z)o (y2)The H-O-H angle should be less than 109 deg A1+1+1+1+1 A2‖+1+1 +1 H B2+1-1 +1 H H X O C(z) O(xz) olya Contentsfromhttp://butane.chem.uiuc.edulpshapley312/lectures/l10/index.html
Contents from http://butane.chem.uiuc.edu/pshapley/312/Lectures/L10/index.html
A1++ +1+1 be less than 109 de ould CrEC(2)o,(xz)o,(yz) The h-o-h angle sho A2+1+1 O +1 H H B 2 +1 O H H X O C2(z) o(xz) o(yz) 1 B 2
Y H H X C(z o(xz OIVZ 32 A1 O H H X O C(z) o(xz) o(yz) B Or
B2 A1