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(a) Sketch the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) on the basis of the calculation (b) Assuming that 1 were to react with an electrophile, where is the most likely site of attack Compare the Lewis basicity of 1 to that of ethylene (c) Assuming that 1 were to react with a nucleophile, where is the most likely site of attack Compare the Lewis acidity of 1 to that of ethylene (d) In terms of j j, estimate the energy of the lowest p p electronic excitation of 1 Is the p p state likely to be higher or lower than the n p state Explain in less than three lines (e) Calculate the p bond order of the C2 C3 bond of 1.
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This means that you are missing a key element in building a relationship with your audience and this in turn has a direct impact on your ability to raise funds, recruit volunteers, and build a base of support within your community Your Web site is not a standalone communications piece that resides in the Web guy s cubicle in a dark corner of your organization It is an integral part of your brand, and consequently, of your organization s health Your online communications, marketing, IT, fundraising, and executive director need to all be engaged in building relationships online The values that your nonprofit holds and articulates through the benefits of its work could have limited impact on the lives of those in your community if your online communications is not an integrated part of your operations and your branding.
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What is the net charge on O1 (f ) Show the most likely product from a Diels Alder reaction of 1 with 1,3butadiene Pay attention to all relevant aspects of stereo- and regioselectivity Answer There are a number of questions of this type which are primarily concerned with the interpretation of the results of MO calculations and their relationship with the ideas of orbital interaction theory The data are derived from a calculation using SHMO (a) Pentadienone 1 has six p electrons A ``sketch'' of the frontier MOs is shown in Figure B51 The relative sizes of the atomic orbital are proportional to the sizes of the MO coe cients and the relatives phases are shown by shading.
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The convention is adopted that a positive signed coe cient corresponds to a p orbital with the unshaded lobe up and a negative coe cient is portrayed by a p orbital with the shaded lobe up The actual convention you use is unimportant, but you must be consistent (b) Attack by an electrophile will be directed to the part of the HOMO which has the largest coe cient, in this case, atom 3 Atom 6 is a close second Basicity relative to ethylene is governed by the relative energy of the HOMO and by the relative magnitudes of the largest coe cients The HOMO is substantially higher, suggesting greater basicity, but the largest coe cient (055) is smaller.
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(a) Discuss the electronic structure of each intermediate in terms of the orbitals involved. (b) Show a plausible geometry for the transition state for the disproportionation step, according to orbital interaction theory. (c) What additional features emerge from the study by Rautenstrauch et al. (Rau tenstrauch, V.; Megard, P.; Bourdin, B.; Furrer, A., J. Am. Chem. Soc., 1992, 114, 1418) on the reduction of camphors with potassium in liquid ammonia (d) Present a brief summary of stereochemical considerations in metal reductions of carbonyls as deduced in the theoretical study of Wu and Houk (Wu, Y.-D.; Houk, K. N., J. Am. Chem. Soc., 1992, 114, 1656). 9. Hahn and le Noble have discovered strongly enhanced stereoselectivity in the reduction of 5-substituted adamantanones where the substitution at C5 is by positive nitrogen (Hahn, J. M.; le Noble, W. J., J. Am. Chem. Soc., 1992, 114, 1916). Thus EaZ ratios for borohydride reduction of compounds 1 3 were in the range 20 25. Suggest a possible reason for these observations on the basis of orbital interaction theory.
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