Chem120A+Notes+-+Electronic+Structure+of+Atoms+2

Chem120A+Notes+-+Electronic+Structure+of+Atoms+2 -...

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Electronic Structure of Molecules
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How Atoms Interacting with Each Other Covalent Bond: an electron pair is shared by neighboring atoms. H : H The electron pair attracts the nuclear on the both sides. Ionic Bond: an electron is transferred from one atom to another. Cl - The Coulombic attraction between ions with opposite charge holds atoms together. Na + The electron structure of molecules tell the bonding strength.
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Separation of Electron Motion for Nuclear Motion The nuclei, being so much heavier than an electron, move relatively slowly and may be treated as stationary while electrons move relative to them. Born-Oppenheimer Approximation: With the nuclei being fixed at an arbitrary separation r , the Schodinger equation of electrons can be solved alone. r () Vr 0 D e r The electron structures at the various separations are calculated to give the potential energy surface (PES).
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Molecular Orbital Theory H B e - H A 22 2 0 ˆ 11 ˆ () 24 eA B HE e H mr r ψψ πε = =− ∇ − + h B r with A r The Schodinger equation for the electron in the hydrogen molecule-ion: The one-electron wavefunctions obtained by solving the Schodinger equation are called molecular orbitals .
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This note was uploaded on 09/28/2009 for the course CHEM 120A taught by Professor Whaley during the Spring '07 term at University of California, Berkeley.

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Chem120A+Notes+-+Electronic+Structure+of+Atoms+2 -...

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