TY - JOUR
T1 - Do pentaurea calix[5]arenes form hydrogen bonded dimeric capsules?
AU - Thondorf, I.
AU - Broda, F.
AU - Vysotsky, M.
AU - Matthews, S. E.
AU - Mogck, O.
AU - Bohmer, V.
PY - 2005
Y1 - 2005
N2 - Calix[5]arenes substituted at their wider rim by five urea residues do not form hydrogen bonded dimeric capsules in aprotic, apolar solvents, in contrast to their calix[4]arene analogs, although molecular dynamic simulations predict very similar geometrical parameters for both cases. The reason for this different behavior is most probably the higher energetic cost which must be paid to arrange the calix[5]arene skeleton in the C-5-symmetrical conformation required for the dimerization.
AB - Calix[5]arenes substituted at their wider rim by five urea residues do not form hydrogen bonded dimeric capsules in aprotic, apolar solvents, in contrast to their calix[4]arene analogs, although molecular dynamic simulations predict very similar geometrical parameters for both cases. The reason for this different behavior is most probably the higher energetic cost which must be paid to arrange the calix[5]arene skeleton in the C-5-symmetrical conformation required for the dimerization.
U2 - 10.1007/s10947-006-0149-3
DO - 10.1007/s10947-006-0149-3
M3 - Article
VL - 46
SP - S39-S45
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - Supplement 1
ER -