Catalysis of transesterification by a nonfunctionalized metal-organic framework: Acido-basicity at the external surface of ZIF-8 probed by FTIR and ab initio calculations

Journal of the American Chemical Society

Volumn 132, Issue 35, 2010, Pages 12365-12377

  Chizallet, Cěline ^a   Lazare, Sandrine ^a   Bazer Bachi, Delphine ^a   Bonnier, Fabien ^a   Lecocq, Vincent ^a   Soyer, Emmanuel ^a   Quoineaud, Anne Agathe ^a   Bats, Nicolas ^a  

^a IFP ENERGIES NOUVELLES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ACID SITE; ADSORPTION ENERGIES; ATOMIC SCALE; BASIC SITES; CATALYTIC PROPERTIES; CATALYZE TRANSESTERIFICATION; CO ADSORPTION; DFT CALCULATION; EXTERNAL SURFACES; FREQUENCY SHIFT; FT-IR SPECTRUM; FTIR; IMIDAZOLATE; INFRARED SPECTRUM; LEWIS SITES; LOW TEMPERATURES; METAL ORGANIC FRAMEWORK; METHYL ACETATES; NH GROUPS; OH GROUP; OPERATING CONDITION; PERIODIC MODELS; THERMODYNAMIC MODEL; ZN ATOMS;

ADSORPTION; CATALYSIS; ESTERS; METHANOL; SPECTROSCOPY; SURFACE DEFECTS; VEGETABLE OILS; ZINC;

SURFACES;

ACETIC ACID DERIVATIVE; BRONSTED ACID; CARBON MONOXIDE; CARBONIC ACID DERIVATIVE; HYDROGEN; IMIDAZOLE DERIVATIVE; METHANOL; NITROGEN DERIVATIVE; UNCLASSIFIED DRUG; VEGETABLE OIL; ZEOLITE; ZIF 8; ZINC;

AB INITIO CALCULATION; ACIDITY; ADSORPTION; ALKALINITY; ARTICLE; CATALYSIS; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; LOW TEMPERATURE; POROSITY; PRESSURE; SURFACE PROPERTY; TEMPERATURE; THERMODYNAMICS; TRANSESTERIFICATION;

ACIDS; CARBON MONOXIDE; CATALYSIS; ESTERS; IMIDAZOLES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; PLANT OILS; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; STEREOISOMERISM; SURFACE PROPERTIES; THERMODYNAMICS; ZEOLITES; ZINC;

EID: 77956238343     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja103365s     Document Type: Article

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