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. Author manuscript; available in PMC: 2009 Jan 27.
Published in final edited form as: J Org Chem. 2007 Jan 19;72(2):650–653. doi: 10.1021/jo061838t

Table 3.

Energies (eV) of HOMO and LUMO and largest atomic contribution to LUMO for selected dipolarophiles

graphic file with name nihms-61781-t0005.jpg
R EHOMO ELUMO a(C-2) a(C-3)
H -7.8 -1.6 0.79 0.36
Me -7.5 -1.3 0.78 0.35
Ph -6.7 -2.1 0.47 0.37