Best Lewis Structure
The Lewis structure that is closest to your structure is determined.
The hybridization of the atoms in this idealized Lewis structure
is given in the table below.
Please note that your structure can't be well described by a single
Lewis structure, because of extensive delocalization.
Hybridization in the Best Lewis Structure
1. A bonding orbital for H1-F2 with 1.9993 electrons
__has 11.46% H 1 character in a s orbital
__has 88.54% F 2 character in a s0.97 p3 hybrid
4. A lone pair orbital for F2 with 1.9996 electrons
__made from a p-pi orbital (100.00% p)
5. A lone pair orbital for F2 with 1.9996 electrons
__made from a p-pi orbital (100.00% p)
6. A lone pair orbital for F2 with 1.9983 electrons
__made from a s orbital
7. A lone pair orbital for F3 with 1.9996 electrons
__made from a p-pi orbital (100.00% p)
8. A lone pair orbital for F3 with 1.9996 electrons
__made from a p-pi orbital (100.00% p)
9. A lone pair orbital for F3 with 1.9983 electrons
__made from a s orbital
10. A lone pair orbital for F3 with 1.7932 electrons
__made from a s0.97 p3 hybrid
54. A antibonding orbital for H1-F2 with 0.2000 electrons
__has 88.54% H 1 character in a s orbital
__has 11.46% F 2 character in a s0.97 p3 hybrid
-With core pairs on: F 2 F 3 -
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Donor Acceptor Interactions in the Best Lewis Structure
The localized orbitals in your best Lewis structure
can interact strongly. A filled bonding or lone pair orbital can
act as a donor and an empty or filled bonding, antibonding, or
lone pair orbital can act as an acceptor. These
interactions can strengthen and weaken bonds. For example, a
lone pair donor->antibonding acceptor orbital interaction
will weaken the bond
associated with the antibonding orbital. Conversly, an interaction
with a bonding pair as the acceptor will strengthen the bond.
Strong electron delocalization in your best Lewis structure will
also show up as donor-acceptor interactions.
Interactions greater than 20 kJ/mol for bonding and lone pair
orbitals are listed below.
The interaction of the third lone pair donor orbital, 9, for F3 with
the antibonding acceptor orbital, 54, for H1-F2 is 65.1 kJ/mol.
The interaction of 4th lone pair donor orbital, 10, for F3 with
the antibonding acceptor orbital, 54, for H1-F2 is 879. kJ/mol.
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Molecular Orbital Energies
The orbital energies are given in eV, where 1 eV=96.49 kJ/mol.
Orbitals with very low energy are core 1s orbitals.
More antibonding orbitals than you might expect are sometimes
listed, because d orbitals are always included for heavy
atoms and p orbitals are included for H atoms.
Up spins are shown with a ^ and down spins are shown as v.
14 ----- 17.67
13 ----- 16.96 12 ----- 16.96
11 ----- 10.18
10 -^-v- -0.699 9 -^-v- -0.700
8 -^-v- -0.962
7 -^-v- -1.308 6 -^-v- -1.308
5 -^-v- -4.793
4 -^-v- -19.02
3 -^-v- -20.17
2 -^-v- -646.2 1 -^-v- -646.2
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