Published December 2003 | Version v1
Journal article Metadata-only

Hydrogen bonding and proton transfer involving the trihydride complexes Cp*M(dppe)H3 (M = Mo, W) and fluorinated alcohols: the competitive role of the hydride ligands and metal atom

Creators

  • 1. Lab. de Synthese et d'Electrosynthese Organometalliques (LSEO UMR 5632), Univ. de Bourgogne, Faculte de Sciences Gabriel, Dijon (France)
  • 2. RAN, Inst. Ehlementoorganicheskikh Soedinenij im. A.N. Nesmeyanova, Moscow (Russian Federation)
  • 3. Dept. de Quimica, Univ. Autonoma de Barcelona, Bellaterra (Spain)

Description

Using the density functional method (DFT) and data of IR and NMR spectroscopy, mechanism of protonation of the complexes Cp*M(dppe)H3 (M = Mo (1), W (2); dppe = ethylenebis(diphenylphosphine)) with fluorinated alcohols featuring different acidity was studied. It was ascertained that in complexes 1 and 2 proton transfer from the fluorinated alcohols in case of complex 2 tales place via formation of hydrogen bond with metal atom and in case of complex 1 - via formation of H-bond with hydride ligand

Abstract (Russian)

С использованием метода функционала плотности (DFT) и данных ИК- и ЯМР спектроскопии изучен механизм протонирования комплексов Cp*M(dppe)H3 (M = Mo (1), W (2); dppe = этиленбис(дифенилфосфин)) фторированием спиртами с различной кислотностью. Установлено, что в комплексах 1 и 2 перенос протона от фторированных спиртов происходит в случае комплекса 2 через образование водородной связи с атомом металла, а в случае комплекса 2 - через образование Н-связи с гидридным лигандом

Additional details

Additional titles

Original title (Russian)
Водородная связ' и перенос протона с участием тригидридных комплексов Cп*М(дппе)Х

Publishing Information

Journal Title
Izvestiya Akademii Nauk. Rossijskaya Akademiya Nauk. Seriya Khimicheskaya
Journal Issue
no.12
Journal Page Range
p. 2535-2538
ISSN
1026-3500
CODEN
IASKEA

INIS

Country of Publication
Russian Federation
Country of Input or Organization
Russian Federation
INIS RN
36106723
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
ALCOHOLS; CHEMICAL BONDS; CHEMICAL REACTION KINETICS; CYCLOPENTADIENE; HYDRIDES; INFRARED SPECTRA; MOLECULAR STRUCTURE; MOLYBDENUM COMPLEXES; NMR SPECTRA; ORGANIC FLUORINE COMPOUNDS; ORGANIC PHOSPHORUS COMPOUNDS; TUNGSTEN COMPLEXES
Descriptors DEC
ALKENES; COMPLEXES; CYCLOALKENES; DIENES; HYDROCARBONS; HYDROGEN COMPOUNDS; HYDROXY COMPOUNDS; KINETICS; ORGANIC COMPOUNDS; ORGANIC HALOGEN COMPOUNDS; POLYENES; REACTION KINETICS; SPECTRA; TRANSITION ELEMENT COMPLEXES

Optional Information

Notes
19 refs., 2 figs., 2 tabs.