CHEM LAB 3 - Distance(H2,H1) E (kJ/mol) E HOMO (kJ/mol) E...

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Unformatted text preview: Distance(H2,H1) E (kJ/mol) E HOMO (kJ/mol) E LUMO (kJ/mol) 0.4 ­2562.89 ­1369.3 496.38 0.58 ­3017.2 ­1234.89 382.25 0 1.25 ­2899.12 ­935.74 ­98.44 -500 3.2 ­2418.56 ­679.62 ­545.59 5 ­2358.32 ­633.63 ­576.48 -1000 0.74 ­3086.24 ­1139.35 262.77 E (kJ/mol) E HOMO/LUMO (kJ/mol) -1500 -2000 -2500 -3000 -3500 0 1 Potential Energy Curve E (kJ/mol) 2 3 Distance (Å) 4 5 6 Effect of Bond Length on ΔE 1000 500 0 -500 -1000 -1500 0 1 2 3 Distance (Å) 4 5 6 E HOMO (kJ/mol) E LUMO (kJ/mol) -1500 0 1 2 3 Distance (Å) 4 5 6 ...
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This note was uploaded on 02/01/2011 for the course CHEM 1LB taught by Professor Edwards during the Winter '08 term at UC Irvine.

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