S117Lecture102011

S117Lecture102011 - Molecular orbital theory Reconsider H2...

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The wavefunctions add and subtract to result in the wavefunction experienced by the molecule. This is the basis of the covalent bond • The electrons occupy the same orbital and have opposite spins. • This new orbital that the bonding electrons occupy is called a “molecular orbital” Molecular orbital theory Reconsider H 2
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Adding (and subtracting) wavefunctions
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The wavefunctions overlap to form a covalent bond • The electrons occupy the same orbital and have opposite spins. • This new orbital that the bonding electrons occupy is called a “molecular orbital” • The resultant molecular orbital, which the electrons occupy can be thought of as being obtained from the addition of the 2, 1s orbitals This last statement is the key idea that we will use to build the concept of molecular orbital theory I want to re-stress what happened for H 2
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Molecular orbitals: How exactly do the Hydrogen 1s orbital “waves” interfere to screen the nuclear Coulomb repulsion?
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Think particle-in-a-box again to understand qualitatively the “molecular orbital” shapes here (From constructive interference of waves) (From destructive interference of waves)
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Molecular bonding and anti-bonding orbitals • Molecular orbitals, add and subtract to give new orbitals that can be occupied by the electrons belonging to the molecule Obtained from adding the 2, 1s orbitals. Probability is high between the atoms. Hence called bonding
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S117Lecture102011 - Molecular orbital theory Reconsider H2...

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