Permittivity-dependent entropy driven complexation ability of cone and paco tetranitro-calix[4]arene toward para-substituted phenols

The Journal of Physical Chemistry. B
Sándor Kunsági-MátéLászló Kollár

Abstract

Considering the importance of the polarizability of the rings of calixarenes in the entropy-driven interaction processes, we examined the effect of entropy compensation on the complex formation of cone and partial cone (paco) conformers of tetranitro-calix [4]arene, possessing O-ethyl substituents at the lower rim. Both calixarene conformers were fully characterized including X-ray crystallography. Various para-substituted phenols were used as guest molecules. Photoluminescence (PL) measurements and quantum-chemical (QC) investigations were used. A permittivity dependence of the molecular interactions was obtained in different alcohols as solvents. It was found that the cone conformer of the title calixarene derivative forms stable complexes with all phenols of the p-substituted series. The free enthalpy changes show very high complex stability of cone calixarene with p-nitro and p-chloro-substituted phenols. In the cases of parent phenol, p-cresol and p- tBu-phenol, the stability is significantly lower; however, it slightly increases with the increasing electron density on the aromatic ring of guest molecules. Similarly, the entropy changes are significantly different for these two separated groups: the entropy changes obtaine...Continue Reading

References

May 31, 2002·Acta Crystallographica. Section B, Structural Science·Frank H Allen
Jan 2, 2003·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Ildikó Mohammed-Ziegler
Jul 13, 2006·The Journal of Physical Chemistry. a·Sándor Kunsági-MátéLászló Kollár
Aug 23, 2007·Chemical Reviews·Jong Seung Kim, Duong Tuan Quang

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Citations

May 8, 2009·The Journal of Physical Chemistry. B·Sándor Kunsági-MátéMartin Pour Nikfardjam
Dec 18, 2013·ACS Applied Materials & Interfaces·Anthony B ThompsonJustin M Notestein
Jan 9, 2018·ACS Applied Materials & Interfaces·Dinesh ShettyAli Trabolsi

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