The hydrogen bonding and conformations of p-tert-butylcalix[4]arene as studied by IR spectroscopy and by DFT calculations

Furer, V.L.; Borisoglebskaya, E.I.; Зверев, В. В.; Коваленко, В. И.

doi:10.1016/j.saa.2005.02.001

Cited by 37 publications

(15 citation statements)

References 11 publications

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“…The OH group stretching vibration of p-tert-butylcalix [4]arene and calix [4]arene 1, 2 was observed at ca. 3170 cm À1 due to very strong intramolecular hydrogen bonds as reported in the literatures [11,28]. After esterification in molar ratios in the order 1:1, 1:2, and 1:3, two kinds of hydroxyl peaks appeared; the first, at 3600-3104 cm À1 for the compounds containing intramolecular hydrogen bond and the second, as narrow peak at 3575-3537 cm À1 for these with non-intramolecular hydrogen bonds.…”

Section: Ir Spectral Analysis Of the Compoundssupporting

confidence: 76%

“…These properties of the calixarene structure and their capabilities of self-organisation and molecular recognition have made them subjects of supramolecular studies. Calixarenes are studied not only for the purely scientific interest evoked in the unusual complex structure and rich conformational possibilities of their molecules, but also for the wide practical applications of this class of compounds [8][9][10][11][12] .…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, spectral characterisation and thermal behaviours of some new p-tert-butylcalix[4]arene and calix[4]arene-esters containing acryloyl groups

Özkınalı

Kocaokutgen

2013

Journal of Molecular Structure

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Section: Ir Spectral Analysis Of the Compoundssupporting

confidence: 76%

Section: Introductionmentioning

confidence: 99%

Synthesis, spectral characterisation and thermal behaviours of some new p-tert-butylcalix[4]arene and calix[4]arene-esters containing acryloyl groups

Özkınalı

Kocaokutgen

2013

Journal of Molecular Structure

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“…Symmetric C-H stretching vibrations from these groups are located at 2906 and 2868 cm −1 . Weak bands at 3055 and 3023 cm −1 are assigned to aromatic C-H stretching vibrations [32]. Spectrum B of TiO 2 modified SBA-15 is characterized by residual silanol groups, which we attribute to (unattainable) Si-OH preserved inside micropores due to pore blocking during ALD [14].…”

Section: Nanostructuring Surfaces In Confinementmentioning

confidence: 85%

“…In summary, based on the observation of the characteristic vibrational modes of calixarene, IR spectroscopy can confirm the successful grafting of the calixarene template onto TiO 2 -SBA-15. Additionally, the broad band centered at 3140 cm −1 vanishes completely upon grafting implying the formation of Ti-O-C covalent bonds between the calixarene template and the titania surface [14,32]. Trace D represents the IR spectrum of TiO 2 -SBA-15 + calixarene after O 3 treatment at 60 °C.…”

Section: Nanostructuring Surfaces In Confinementmentioning

confidence: 99%

Nanoscale Structuring in Confined Geometries using Atomic Layer Deposition: Conformal Coating and Nanocavity Formation

Ruff

Carrillo-Solano

Ulrich

et al. 2018

Zeitschrift Für Physikalische Chemie

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Nanoscale structuring in confined geometries using atomic layer deposition (ALD) is demonstrated for surfaces of nanochannels in track-etched polymer membranes and in mesoporous silica (SBA-15). Suitable process conditions for conformal ALD coating of polymer membranes and SBA-15 with inorganic oxides (SiO2, TiO2, Al2O3) were developed. On the basis of the oxide-coated layers, nanochannels were further structured by a molecular-templated ALD approach, where calixarene macromolecules are covalently attached to the surface and then embedded into an Al2O3 layer. The removal of calixarene by ozone treatment results in 1–2 nm wide surface nanocavities. Surfaces exposed to different process steps are analyzed by small angle X-ray scattering (SAXS) as well as by X-ray photoelectron and infrared spectroscopy. The proposed nanostructuring process increases the overall surface area, allows controlling the hydrophilicity of the channel surface, and is of interest for studying water and ion transport in confinement.

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“…The band contour is virtually symmetrical, the observed low frequency narrow bands were assigned to the ν(СН) stretching vibrations of the macrocycle fragments, the stretching vibrations of the СН groups in aromatic rings having the highest frequencies among them. [17][18][19] Calixarene 6 is of particular interest, since, apart from the ОН groups at the lower rim of the molecule, it has six СООН groups at the upper one. In the IR spectrum of this derivative, the absorption bands in the region 3540 cm -1 , which are responsible for the non bonding hydroxy fragments of the carboxy groups, are absent.…”

Section: Resultsmentioning

confidence: 99%

Intramolecular co-operative hydrogen bond in calix[n]arenes (n = 4, 6, 8) bearing bulky substituents

et al. 2007

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Based on the Fourier transform IR spectroscopy together with the published NMR and X ray data, it was shown that cyclic co operative intramolecular hydrogen bond in calix[n]arene (n = 4, 6, 8) molecules is mainly responsible for their conformational state irrespective of the presence or absence of bulky substituents at the upper rim of the molecules. In accordance with the size of a macrocycle (n = 4, 6, 8), the stable conformation, secured by such a hydrogen bond, constitutes a cone, a pinched cone, and a pleated loop, respectively. The new, potentially competing system of hydrogen bonds in calix[6]arenes with 3 carboxymethyl 1 adamantyl substituents does not affect the conformational state of the macrocycle and its Н bonding. Six carboxy groups at the upper rim form in pairs three cyclic dimers, which does not disturb the hydrogen bonds of the hydroxy groups and the conformation of the macrocycle. In addition, the cavity of the molecule is considerably enlarged. The removal or rearrangement of the guest molecules in the solid calixarene by heating up to 180 °С only slightly affects the conforma tional state of macrocycles bearing bulky substituents, whereas in calixarenes devoid of such substituents, the similar procedure leads to somewhat of a distortion of the macrocycles (judging from the IR spectral indications of hydrogen bonding).

show abstract

The hydrogen bonding and conformations of p-tert-butylcalix[4]arene as studied by IR spectroscopy and by DFT calculations

Cited by 37 publications

References 11 publications

Synthesis, spectral characterisation and thermal behaviours of some new p-tert-butylcalix[4]arene and calix[4]arene-esters containing acryloyl groups

Synthesis, spectral characterisation and thermal behaviours of some new p-tert-butylcalix[4]arene and calix[4]arene-esters containing acryloyl groups

Nanoscale Structuring in Confined Geometries using Atomic Layer Deposition: Conformal Coating and Nanocavity Formation

Intramolecular co-operative hydrogen bond in calix[n]arenes (n = 4, 6, 8) bearing bulky substituents

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