Journal of the American Chemical Society
Article
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(15) To allow adequate comparisons with literature values, we
provide calculated strain energies based on the B3LYP functional and
a homodesmotic reaction model in this Article. More comprehensive
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(17) During the revision stage, we found that the more electron-
deficient, hence better π-template pyrazine shifts the selectivity even
further toward two-porphyrin macrocycles of [2]CPT type. A
systematic study of this template effect is ongoing.
(18) In qualitative UV−vis titrations (toluene), we did not observe
significant absorption changes when C60 was added to rectangular-
shaped [2]CPT-OH, indicating that the binding of [2]CPT-OH to
C60 is several orders of magnitude weaker than that to [2]CPT.
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