Characterizing metal coordination environments in porous organic polymers: A joint density functional theory and experimental infrared spectroscopy study

Chemistry - A European Journal

Volumn 19, Issue 41, 2013, Pages 13646-13651

  Lõpez Encarnaciõn, Juan M ^a   Tanabe, Kristine K ^a   Johnson, Marc J A ^a   Jellinek, Julius ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

density functional calculations; IR spectroscopy; polymers; tantalum; transition metals

Indexed keywords

CATALYTIC MATERIALS; COMPUTATIONAL ANALYSIS; JOINT DENSITIES; METAL COORDINATION; MOLECULAR PRECURSOR; POROUS ORGANIC POLYMERS; REACTION CENTER; SPECTROSCOPIC CHARACTERISTICS;

DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; POLYMERS; TANTALUM; TRANSITION METALS;

ORGANIC POLYMERS;

EID: 84885345896     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201302812     Document Type: Article

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