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Theoretical study on the protonation of bambus[6]uril

✍ Scribed by Petr Toman; Emanuel Makrlík; Petr Vaňura

Publisher
Springer Vienna
Year
2011
Tongue
English
Weight
499 KB
Volume
143
Category
Article
ISSN
0026-9247

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Ab initio self-consistent-field molecular orbital calculations have been carried out for the C,H,, ( n = 3 to 6) cycloakanes and various conformers of their protonated forms. The calculated protonation energies for the sequence of conformers of the protonated forms follow the experimentally observed