Interactions between aromatic hydrocarbons and functionalized C60 fullerenes – insights from experimental data and molecular modelling

Autor(en)

Thorsten Hüffer, Huichao Sun, James Kubicki, Thilo Hofmann, Mélanie Kah

Abstrakt

Understanding molecular interactions between organic compounds and carbon-based nanomaterials is crucial to the interpretation of phase transfer processes, both in technical applications and within the environment. There is, however, little information available on the interactions between organic compounds and C

₆₀ fullerenes, in particular regarding the effects of functionalization. Experimental sorption isotherms and molecular modelling have therefore been used to systematically investigate how these interactions are affected by functionalization of the sorbate (using one, two and four ring aromatics, with -OH or -NH

₂ functional groups) and the sorbent (i.e., C

₆₀ and C

₆₀-OH). Functionalization of the sorbent, as well as hydroxyl- and amino-functionalization of the sorbate, had a significant effect on sorption. The enhanced sorption of hydroxyl- and amino-functionalized sorbates by C

₆₀ may be due to an increased contribution from π-π electron donor-acceptor interactions. Additional hydrogen bond interactions with C

₆₀-OH also appear to play an important role. Our results emphasize that the surface chemistry of C

₆₀ is of critical importance to their interactions with organic compounds. The ageing of C

₆₀ in technical applications, or in the environment, is therefore likely to significantly affect the molecular interactions, and hence sorption strength, for polar and non-polar organic compounds.

Organisation(en)

Externe Organisation(en)

University of Texas at El Paso, Universität Wien

Journal

Environmental Science: Nano

Band

4

Seiten

1045 - 1053

Anzahl der Seiten

9

ISSN

2051-8153

DOI

https://doi.org/10.1039/c7en00139h

Publikationsdatum

03-2017

Peer-reviewed

Ja

ÖFOS 2012

104023 Umweltchemie, 104002 Analytische Chemie, 105906 Umweltgeowissenschaften, 210004 Nanomaterialien

Schlagwörter

ASJC Scopus Sachgebiete

Allgemeine Umweltwissenschaft, Materials Science (miscellaneous)

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/5098420e-963e-4e3e-bf36-9c53e5f30e90