A vibrational spectroscopic study of clathrates of resorcarene-based cavitands

Jörg Dormann; Andreas Ruoff; Jürgen Schatz; O. Middel; Willem Verboom; David Reinhoudt

doi:10.1002/poc.440

A vibrational spectroscopic study of clathrates of resorcarene-based cavitands

Jörg Dormann, Andreas Ruoff, Jürgen Schatz, O. Middel, Willem Verboom, David Reinhoudt

Research output: Contribution to journal › Article › Academic › peer-review

3 Citations (Scopus)

Abstract

By comparison of the fully assigned vibrational spectra obtained for resorcarene-based cavitands 2a and 2b, their clathrates with toluene and ethanol respectively, and free guest molecules, good structural models for the clathrates could be obtained merely based on Fourier transform infrared data. Using this novel technique, various different interactions between the host and guest in the solid state as well as the orientation of the included guest could be identified. In the case of cavitand 2a, the model obtained by this methodology could be validated by comparison with an experimental crystal structure analysis.

Original language	Undefined
Pages (from-to)	704-708
Journal	Journal of physical organic chemistry
Volume	14
Issue number	10
DOIs	https://doi.org/10.1002/poc.440
Publication status	Published - 2001

Keywords

METIS-202979
Host-guest systems
vibrational spectroscopy
Supramolecular Chemistry
IR-36757
resorcinarenes
Calixarenes

Access to Document

10.1002/poc.440

Cite this

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abstract = "By comparison of the fully assigned vibrational spectra obtained for resorcarene-based cavitands 2a and 2b, their clathrates with toluene and ethanol respectively, and free guest molecules, good structural models for the clathrates could be obtained merely based on Fourier transform infrared data. Using this novel technique, various different interactions between the host and guest in the solid state as well as the orientation of the included guest could be identified. In the case of cavitand 2a, the model obtained by this methodology could be validated by comparison with an experimental crystal structure analysis.",

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T1 - A vibrational spectroscopic study of clathrates of resorcarene-based cavitands

AU - Dormann, Jörg

AU - Ruoff, Andreas

AU - Schatz, Jürgen

AU - Middel, O.

AU - Verboom, Willem

AU - Reinhoudt, David

N1 - 663

PY - 2001

Y1 - 2001

N2 - By comparison of the fully assigned vibrational spectra obtained for resorcarene-based cavitands 2a and 2b, their clathrates with toluene and ethanol respectively, and free guest molecules, good structural models for the clathrates could be obtained merely based on Fourier transform infrared data. Using this novel technique, various different interactions between the host and guest in the solid state as well as the orientation of the included guest could be identified. In the case of cavitand 2a, the model obtained by this methodology could be validated by comparison with an experimental crystal structure analysis.

AB - By comparison of the fully assigned vibrational spectra obtained for resorcarene-based cavitands 2a and 2b, their clathrates with toluene and ethanol respectively, and free guest molecules, good structural models for the clathrates could be obtained merely based on Fourier transform infrared data. Using this novel technique, various different interactions between the host and guest in the solid state as well as the orientation of the included guest could be identified. In the case of cavitand 2a, the model obtained by this methodology could be validated by comparison with an experimental crystal structure analysis.

KW - METIS-202979

KW - Host-guest systems

KW - vibrational spectroscopy

KW - Supramolecular Chemistry

KW - IR-36757

KW - resorcinarenes

KW - Calixarenes

U2 - 10.1002/poc.440

DO - 10.1002/poc.440

M3 - Article

VL - 14

SP - 704

EP - 708

JO - Journal of physical organic chemistry

JF - Journal of physical organic chemistry

SN - 0894-3230

IS - 10

ER -