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The molecular orbitals of water, (1a1)2(2a1)2(1b2)2(3a1)2(1b1)2, are shown on another page (24 KB).
The electronic structure has been proposed as 1sO2.00 2sO1.82 2pxO1.50 2pzO1.12 2pyO2.00 1sH10.78 1sH20.78 [71], however it now appears that the 2s orbital may be effectively unhybridized with the bond angle expanded from the (then) expected angle of 90° due to the steric and ionic repulsion between the partially-positively charged hydrogen atoms (as proposed by Pauling over 50 years ago [99]). The molecular orbitals of water, (1a1)2(2a1)2(1b2)2(3a1)2(1b1)2, are shown on another page (24 KB).
The electronic structure has been proposed as 1sO2...
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