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Localized electrons to Molecular orbitals
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Hybridization The s, p, d, and f orbitals work when defining electron configurations in single atoms; however, when atoms bond the s, p, d, f arrangement no longer applies. Hydridization is the combination of s and p orbitals to make bonding orbitals.
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Types of Hybridization HybridizationElectron density areas/Bonding areas Shapes sp 3 4Tetrahedral Trigonal pyramidal Bent 105° sp 2 3Trigonal planar Bent 120° sp2Linear
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Bond Types Sigma (σ) bonds: Bonds formed on a line between atoms due to overlapping orbitals. Single bonds and the first bond in double and triple bonds are σ bonds. Highest energy/strongest bonds. Pi (π) bonds: Bonds formed above/below/to sides of the sigma bonds. They form between parallel orbitals. Lower energy and weaker than σ bonds.
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Molecular Orbitals The molecular orbital model better describes much of covalent bonding in stating that new molecular orbitals (around the entire molecule) form in molecules. For instance, in H 2, there are no longer 1s orbitals for each hydrogen atom, but there is a MO 1 ( or σ 1s ) orbital filled with 2 electrons. MO 1 is lower in energy (so more stable) than the 1s orbitals, so H 2 forms. There is then a MO 2 (or σ 1s *) orbital that is higher in energy (less stable) than the 1s orbitals. This σ 1s * is an anti-bonding orbital.
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Some simple Molecular orbital diagrams H2H2H2H2 H2-H2-H2-H2- He 2 Li 2 Be 2
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An interruption Before we look at some more advanced molecular orbital diagrams we need to talk about magnatism Paramagnatism causes a substance to be attracted to a magnetic field. Paramagnetism is associated with unpaired electrons in molecular orbitals. Diamagnetism causes a substance to be repelled from a magnetic field. Diamagnetism is associated with paired electrons in molecular orbitals.
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So when you get to boron… B2 expected But B2 is paramagnetic So they figured that orbitals mix and it goes like this.
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Bond Order Bond order determines the strength of bonds. A positive bond order indicates bonds should form, and the greater the number the stronger the bond. A bond order that is zero indicates that a bond should not form. Bond order = (Number of bonding electrons-Number of anti-bonding electrons)/2 H2H2H2H2 He 2 N2N2N2N2 O2O2O2O2
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Molecular Orbitals and Bond Order You can use these molecular orbital diagrams and bond order for heteronuclear molecules. NO NO + CN - And to even explain bond polarity. HF
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Combining Localized electron models and Molecular orbital models When we draw resonance structures like for ozone, the only thing switching places is the double bond. So the the single σ bond can be drawn as localized and the π bond is delocalized.
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Another example Benzene resonance structures: Benzene with delocalized π bonding:
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