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19 Nov 2019
M-3. Make a Lewis dot structure of ozone showing the resonance forms. Now draw a valence bond hybrid orhilal sketch as well. How many electrons are delocalized in the pi syste Now assume the molecular pi system can be represented by linear combinations of 2p: orbitals on the oxygens with lhe formy-G lp, c2Ï2p,+ p, Using lhe variational rnethod derive he secular deant or i emNwame iel he omn H,-(a if i-j) and (= β if it j but i and j are nearest neighbors) O otherwise s,ã¼Î´": (if it j -0, otherwise-1) Now solve the secular determinant to determine the energy levels and the coefficients (c c2, c) of the molecular pl wavefunctions using the tact that the α value corresponds to self-energy ofthe atomic p orbital (-0) and the β value is r lated to bonding and is a negative value. Don't forget that the wavefunctions must be normalized and this will give you a value for one of the coefficients which can he relaled Lo he rest of the coefficients. Sketch the pi wavefunctions and compare them to Lewis resonance structures and lo your valence bond hybrid orbital skelch for ozone. If you roughly sum up the electron density of the occupied molecular pi orbitals does it agree with how you did your valence hond model of ozone?
M-3. Make a Lewis dot structure of ozone showing the resonance forms. Now draw a valence bond hybrid orhilal sketch as well. How many electrons are delocalized in the pi syste Now assume the molecular pi system can be represented by linear combinations of 2p: orbitals on the oxygens with lhe formy-G lp, c2Ï2p,+ p, Using lhe variational rnethod derive he secular deant or i emNwame iel he omn H,-(a if i-j) and (= β if it j but i and j are nearest neighbors) O otherwise s,ã¼Î´": (if it j -0, otherwise-1) Now solve the secular determinant to determine the energy levels and the coefficients (c c2, c) of the molecular pl wavefunctions using the tact that the α value corresponds to self-energy ofthe atomic p orbital (-0) and the β value is r lated to bonding and is a negative value. Don't forget that the wavefunctions must be normalized and this will give you a value for one of the coefficients which can he relaled Lo he rest of the coefficients. Sketch the pi wavefunctions and compare them to Lewis resonance structures and lo your valence bond hybrid orbital skelch for ozone. If you roughly sum up the electron density of the occupied molecular pi orbitals does it agree with how you did your valence hond model of ozone?