Influence of synthesis conditions on the formation of a Kaolinitemethanol complex and simulation of its vibrational spectra

Clays and Clay Minerals

Volumn 60, Issue 3, 2012, Pages 227-239

  Matusik, Jakub ^a   Scholtzová, Eva ^b   Tunega, Daniel ^b,c  

^a AGH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Poland)

^b INSTITUTE OF CHEMISTRY   (Slovakia)

^c UNIVERSITY OF NATURAL RESOURCES AND LIFE SCIENCES   (Austria)

Author keywords

DFT D2; Grafting; Intercalation; Kaolinite; Methanol; Vibrational spectra

Indexed keywords

ANGLE SPINNING; DFT-D2; DISPERSION CORRECTION; ESTERIFICATION REACTIONS; EXPERIMENTAL DATA; EXPERIMENTAL PROCEDURE; INTERLAYER SPACES; MAS NMR; METHOXY GROUP; MINERAL STRUCTURE; OH GROUP; ORGANIC MOLECULES; SYNTHESIS CONDITIONS; THEORETICAL RESULT; THEORETICAL SIMULATION; VIBRATIONAL MODES; WATER MOLECULE;

DENSITY FUNCTIONAL THEORY; DIMETHYL SULFOXIDE; ESTERIFICATION; GRAFTING (CHEMICAL); INTERCALATION; KAOLINITE; MAGIC ANGLE SPINNING; MINERAL INDUSTRY; MOLECULES; SYNTHESIS (CHEMICAL); VIBRATIONAL SPECTRA; X RAY DIFFRACTION;

METHANOL;

CHEMICAL ANALYSIS; CHEMICAL REACTION; EXPERIMENTAL MINERALOGY; FTIR SPECTROSCOPY; KAOLINITE; METHANOL;

EID: 84866517115     PISSN: 00098604     EISSN: 15528367     Source Type: Journal    
DOI: 10.1346/CCMN.2012.0600301     Document Type: Article

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