ISSN: 2155-9872

Journal of Analytical & Bioanalytical Techniques
Open Access

Our Group organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.

Open Access Journals gaining more Readers and Citations
700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ Readers

This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)

Quantum chemistry aided FTIR spectroscopy to distinguish internal and external Br�¸nsted acidic sites of zeolite nano-crystals

7th International Conference and Exhibition on Analytical & Bioanalytical Techniques

Istvan Halasz

PQ Corporation, USA

Posters & Accepted Abstracts: J Anal Bioanal Tech

DOI: 10.4172/2155-9872.C1.025

Abstract
Microporous nano-crystals of zeolites are key ingredients in more than 50% of heterogeneous catalysts, which contribute to manufacturing the majority of chemical products. Their Br�¸nsted acidic hydroxyl groups (BA-OH) play pivotal role in many reactions. The presence of BA-OH sites on the crystallite surface bears of special interest, due to diffusion limitations inside of their micropores. Yet distinction of the internal and external BA-OH sites has been ambiguous. Here we show that clear distinction can be made by Fourier Transform Infrared (FTIR) spectroscopy when both diffuse reflectance (DR) and transmission (TR) sampling techniques are employed. Different laboratories use these techniques interchangeably for characterizing solids. To our surprise, we observed very different BA-OH spectra on some zeolites when measured by these two methods. Since physical and chemical differences do not generate such large spectral deviations, we conjectured that emphasized vibrational intensities of the surface and bulk BA-OH groups cause the differences when DR or TR technique is used, respectively. To prove our point we performed selective pyridine adsorption experiments on Chabazite (H-CHA) and H-SAPO-34 zeolites and also computed the density functional theory (DFT) based FTIR spectra of their four geometrically different BA-OH groups in the bulk and on the surface, which confirmed the conjectured vibrational differences. These zeolites are key ingredients of new catalysts for diesel-automobile exhaust control and for the methanol to olefin, MTO, technology.
Biography

Email: istvan.halasz@pqcorp.com

Top