The role of silanols in the interactions between methyl tert -butyl ether and high-silica faujasite y: An infrared spectroscopy and computational model study

Journal of Physical Chemistry C

Volumn 116, Issue 12, 2012, Pages 6943-6952

  Braschi, Ilaria ^a,b   Gatti, Giorgio ^b   Bisio, Chiara ^b,c   Berlier, Gloria ^d   Sacchetto, Vittoria ^b   Cossi, Maurizio ^b   Marchese, Leonardo ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITY OF EASTERN PIEDMONT   (Italy)

^c CNR   (Italy)

^d UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MODELS; ADSORPTION PROCESS; BUTYL ETHER; COMPUTATIONAL MODEL; CONFINEMENT EFFECTS; DEALUMINATED ZEOLITE; DFT CALCULATION; FAUJASITES; H-BONDED COMPLEXES; H-BONDING; HARMONIC FREQUENCY; METHYL TERT BUTYL ETHER; SILANOL GROUPS; SILANOLS; SILICA CONTENT; SYMMETRIC STRETCHING; VAN DER WAALS; ZEOLITE-Y;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ETHERS; INFRARED SPECTROSCOPY; MOLECULES; POINT DEFECTS; SILICA; SILICATE MINERALS; SILICON COMPOUNDS; VAN DER WAALS FORCES; ZEOLITES;

ADSORPTION;

EID: 84859317018     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp210605t     Document Type: Article

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