Experimental and computational studies of hydrogen bonding and proton transfer to [Cp*Fe(dppe)H]

Chemistry - A European Journal

Volumn 11, Issue 3, 2005, Pages 873-888

  Belkova, Natalia V ^a   Collange, Edmond ^b   Dub, Pavel ^a   Epstein, Lina M ^a   Lemenovskii, Dmitrii A ^c   Lledós, Agustí ^d   Maresca, Olivier ^d   Maseras, Feliu ^d   Poli, Rinaldo ^e   Revin, Pavel O ^a,c   Shubina, Elena S ^a   Vorontsov, Evgenii V ^a  

^a A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

^b UNIVERSITÉ DE BOURGOGNE   (France)

^c MOSCOW STATE UNIVERSITY   (Russian Federation)

^d UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^e LCC LABORATOIRE DE CHIMIE DE COORDINATION   (France)

Author keywords

Density functional calculations; Dihydrogen bonding; Hydride ligands; Iron; Proton transfer

Indexed keywords

COMPLEXATION; COMPUTATIONAL METHODS; HYDROGEN; INFRARED SPECTROSCOPY; NEGATIVE IONS; POTENTIAL ENERGY; PROTONS;

DIHYDROGEN COMPLEX; PROTON DONORS; PROTON TRANSFER;

HYDROGEN BONDS;

4 NITROPHENOL; ANION; CATION; HEXAFLUORO 2 PROPANOL; TRIFLUOROACETIC ACID;

ARTICLE; DENSITY FUNCTIONAL THEORY; ENERGY; HYDROGEN BOND; INFRARED SPECTROSCOPY; MATHEMATICAL ANALYSIS; PHOSPHORUS NUCLEAR MAGNETIC RESONANCE; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; QUANTITATIVE ANALYSIS; ROOM TEMPERATURE; SOLVENT EFFECT; ULTRAVIOLET SPECTROSCOPY;

COMPUTER SIMULATION; HYDROGEN BONDING; IRON; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITROPHENOLS; ORGANOMETALLIC COMPOUNDS; PROPANOLS; PROTONS; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY; SPECTROPHOTOMETRY, INFRARED; SPECTROPHOTOMETRY, ULTRAVIOLET; THERMODYNAMICS;

EID: 19944432322     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400700     Document Type: Article

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