Boronate ligands in materials: Determining their local environment by using a combination of IR/solid-state NMR spectroscopies and DFT calculations

Chemistry - A European Journal

Volumn 19, Issue 3, 2013, Pages 880-891

  Sene, Saad ^a   Reinholdt, Marc ^a   Renaudin, Guillaume ^b,c   Berthomieu, Dorothée ^a   Zicovich Wilson, Claudio M ^d   Gervais, Christel ^e   Gaveau, Philippe ^a   Bonhomme, Christian ^e   Filinchuk, Yaroslav ^f,g   Smith, Mark E ^h,i   Nedelec, Jean Marie ^b,c   Bégu, Sylvie ^a   Mutin, P Hubert ^a   Laurencin, Danielle ^a  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b UNIVERSITÉ CLERMONT AUVERGNE   (France)

^c ICCF   (France)

^d UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

^e l'alimentation et l'Environnement   (France)

^f EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

^g UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^h LANCASTER UNIVERSITY   (United Kingdom)

ⁱ UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

boron; density functional calculations; IR spectroscopy; NMR spectroscopy; solid state structures

Indexed keywords

ANHARMONIC; BORONATE; BORONIC ACID; BUILDING BLOCKES; CRYSTALLINE PHASE; DFT CALCULATION; GAUGE INCLUDING PROJECTOR AUGMENTED WAVES; LOCAL ENVIRONMENTS; NOVEL MATERIALS; OH GROUP; ORGANIC-INORGANIC MATERIALS; PERIODIC DFT CALCULATION; SOLID-STATE NMR SPECTROSCOPY; SOLID-STATE STRUCTURES; SPECTROSCOPIC DATA; SPECTROSCOPIC SIGNATURES; STRETCHING FREQUENCY; VIBRATION FREQUENCY;

BORON; DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

LIGANDS;

BORONIC ACID DERIVATIVE; LIGAND;

ARTICLE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

BORONIC ACIDS; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED;

EID: 84872187820     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201203560     Document Type: Article

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