Distinguishing between bulk and edge hydroxyl vibrational properties of 2 : 1 phyllosilicates via deuteration

Harvey, Jacob A.; Johnston, Cliff T.; Criscenti, Louise J.; Greathouse, Jeffery A.

doi:10.1039/C9CC00164F

Distinguishing between bulk and edge hydroxyl vibrational properties of 2 : 1 phyllosilicates via deuteration

Journal Article · Tue Feb 05 23:00:00 EST 2019 · ChemComm

DOI:https://doi.org/10.1039/C9CC00164F· OSTI ID:1496988

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Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Purdue Univ., West Lafayette, IN (United States)

In this study, observation of vibrational properties of phyllosilicate edges via a combined molecular modeling and experimental approach was performed. Deuterium exchange was utilized to isolate edge vibrational modes from their internal counterparts. The appearance of a specific peak within the broader D₂O band indicates the presence of deuteration on the edge surface, and this peak is confirmed with the simulated spectra. These results are the first to unambiguously identify spectroscopic features of phyllosilicate edge sites.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC04-94AL85000; NA0003525

OSTI ID:: 1496988

Alternate ID(s):: OSTI ID: 1494216

Report Number(s):: SAND--2019-1347J; 672365

Journal Information:: ChemComm, Journal Name: ChemComm Journal Issue: none Vol. none; ISSN CHCOFS; ISSN 1359-7345

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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