ps2_1996

ps2_1996 - MIT OpenCourseWare http:/ocw.mit.edu 5.80...

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MIT OpenCourseWare http://ocw.mit.edu 5.80 Small-Molecule Spectroscopy and Dynamics Fall 2008 For information about citing these materials or our Terms of Use, visit: http://ocw.mit.edu/terms .
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MASSACHUSETTS INSTITUTE OF TECHNOLOGY 5.76 Modern Topics in Physical Chemistry Spring, 1996 Problem Set #2 DUE : At Noon on March 18 Look at the table of data on CO and CO + . Use those data and the atomic orbital energies IE(n )/cm –1 C 2s 124,613 C 2p 90,878 O 2s 229,675 O 2p 109,837 to set up an MO diagram for CO. A . The “valence orbitals” are 3 σ , 4 σ , 5 σ , 6 σ , 1 π , 2 π . Use the atomic orbital and CO, CO + spectroscopic data to estimate each of the valence molecular orbital energies (in cm –1 ) relative to a zero of energy at CO + X 2 + v = 0, J = 0. To do this you will have to “assign” several observed Λ -S states to low-lying configurations. B . Use your MO diagram, interpreted by perturbation theory, to describe each MO as localized more on C or on O. C
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ps2_1996 - MIT OpenCourseWare http:/ocw.mit.edu 5.80...

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