An investigation of the conformational behavior of a chlorinated hydrocarbon, 1,1,2-trichloroethane, adsorbed in zeolites by Raman spectroscopy

Wang H, Schwieger W, Huang Y (2015)


Publication Status: Published

Publication Type: Journal article

Publication year: 2015

Journal

Publisher: NRC Research Press (Canadian Science Publishing)

Book Volume: 93

Pages Range: 118-125

DOI: 10.1139/cjc-2014-0187

Abstract

The conformational behavior of 1,1,2-trichloroethane (TCE) adsorbed in two representative zeolites (silicalite-1 and zeolite L) was investigated by Fourier transform (FT)-Raman spectroscopy in combination with thermogravimetric analysis (TGA) and powder X-ray diffraction (XRD). The results indicate that the conformational properties of the TCE molecules inside a zeolitic host are strongly influenced by both the framework topology and the existence of charge balancing cations. When TCE is adsorbed inside completely siliceous silicalite-1, the population of the trans conformer increases significantly relative to pure liquid. Adsorption of TCE also induces a phase transition from the monoclinic to orthorhombic crystal system in the framework of silicalite-1 at high loading levels. At low loading, the TCE molecules are adsorbed inside the channels of silicalite-1. When at high loading levels, TCE molecules reside at both the channel intersection as well as the midsection of the channels. For zeolite L, the presence of an extra-framework cation shows a strong influence on TCE conformation. The strong interaction of the cation with the large dipole moment of the gauche isomer leads to a large increase in the gauche population. Raman data provide direct evidence that the cations in the framework interact much more strongly with the gauche isomer than the trans isomer.

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APA:

Wang, H., Schwieger, W., & Huang, Y. (2015). An investigation of the conformational behavior of a chlorinated hydrocarbon, 1,1,2-trichloroethane, adsorbed in zeolites by Raman spectroscopy. Canadian Journal of Chemistry-Revue Canadienne De Chimie, 93, 118-125. https://dx.doi.org/10.1139/cjc-2014-0187

MLA:

Wang, Haiyan, Wilhelm Schwieger, and Yining Huang. "An investigation of the conformational behavior of a chlorinated hydrocarbon, 1,1,2-trichloroethane, adsorbed in zeolites by Raman spectroscopy." Canadian Journal of Chemistry-Revue Canadienne De Chimie 93 (2015): 118-125.

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