Solvent effects on the conformations and hydrogen bond structure of partially methylated p-tert-butylcalix[4]arenes

Vibrational analysis ofp-tert-butyl-calix[4]arene conformers byab initiocalculations

“…Method PC-C (kcal mol À1 ) 1,2-alt-C (kcal mol À1 ) 1,3-alt-C (kcal mol À1 ) IR spectroscopy is used mainly for characterization of hydrogen bonding [29][30][31] and host-guest interactions in calixarenes for the reliable interpretation of IR spectra and analysis of normal vibration must be performed.…”

“…Partial cone 1,3-alternate 1,2-alternate IR spectroscopy is used generally for characterization of host-guest interactions [11][12][13] in calixarenes [14]. For a reliable explanation of IR spectra an analysis of normal vibrations must be platformed.…”

“Clickable” thiacalix[4]arene derivatives bearing polymerizable 1,3-butadiyne fragments: synthesis and incorporation into polydiacetylene vesicles

“…We found that it is general observation for distal disubstituted thiacalix [4]arene derivatives. 27,28 Moreover, this is completely different from the behavior of disubstituted classical calix [4]arene (C[4]A) derivatives, 29 in which both O-R fragments are xed by intramolecular hydrogen bonding resulting in the rigid cup-shaped structure.…”

Synthesis of molybdenocene(IV) and tungstenocene(IV) tropolonato complexes: Its derivative containing calix[4]arene moiety

“…The reaction of 3 with methyl p-toluenesulfonate in the presence of K 2 CO 3 gave 1,3-dimethoxy-calix [4]arene 4 in 93% yield [10]. These methyl groups were used since their conformational influence on the calixarene was predictable [11]. Preparation of the tropolone-diazonium compound 5 was carried out by using the method of Nozoe [12].…”