Dimerization mechanism of bis(triphenylphosphine)copper(I) tetrahydroborate: proton-transfer via a dihydrogen bond (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Dimerization mechanism of bis(triphenylphosphine)copper(I) tetrahydroborate: proton-transfer via a dihydrogen bond (Articolo in rivista) (literal)

Anno

• 2012-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1021/ic202598c (literal)

Alternative label

• Golub, Igor; Filippov, Oleg; Gutsul, Evgenii; Belkova, Natalia; Epstein, Lina; Rossin, Andrea; Peruzzini, Maurizio; Shubina, Elena (2012)
  Dimerization mechanism of bis(triphenylphosphine)copper(I) tetrahydroborate: proton-transfer via a dihydrogen bond
  in Inorganic chemistry (Online); American Chemical Society, Washington (Stati Uniti d'America)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Golub, Igor; Filippov, Oleg; Gutsul, Evgenii; Belkova, Natalia; Epstein, Lina; Rossin, Andrea; Peruzzini, Maurizio; Shubina, Elena (literal)

Pagina inizio

• 6486 (literal)

Pagina fine

• 6497 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 51 (literal)

Rivista

• Inorganic chemistry (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 12 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• -A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences (INEOS RAS), 28 Vavilov Street, 119991 Moscow, Russia. -Istituto di Chimica dei Composti Organometallici Consiglio Nazionale delle Ricerche (ICCOM CNR), via Madonna del Piano 10, 50019 Sesto Fiorentino (Florence), Italy (literal)

Titolo

• Dimerization mechanism of bis(triphenylphosphine)copper(I) tetrahydroborate: proton-transfer via a dihydrogen bond (literal)

Abstract

• The mechanism of transition-metal tetrahydroborate dimerization was established for thefirst time on the example of (Ph3P)2Cu(?2-BH4) interaction with different proton donors [MeOH, CH2FCH2OH, CF3CH2OH, (CF3)2CHOH,(CF3)3CHOH,p-NO2C6H4OH,p-NO2C6H4N=NC6H4OH,p-NO2C6H4NH2] using the combination of experimental (IR,190-300 K) and quantum-chemical (DFT/M06) methods. The formation of dihydrogen-bonded complexes as thefirst reaction step was established experimentally. Their structural, electronic, energetic, and spectroscopic features were thoroughly analyzed by means of quantum-chemical calculations. Bifurcate complexes involving both bridging and terminal hydride hydrogen atoms become thermodynamically preferred for strong proton donors. Their formation was found to be a prerequisite for the subsequent proton transfer and dimerization to occur. Reaction kinetics was studied at variable temperature, showing that proton transfer is the rate-determining step. This result is in agreement with the computed potential energy profile of (Ph3P)2Cu(?2-BH4) dimerization, yielding [{(Ph3P)2Cu}2(?,?4-BH4)]+ (literal)

Editore

• American Chemical Society (Editore)

Prodotto di

• Istituto di chimica dei composti organo metallici (ICCOM) (Istituto)
• Nuovi materiali per 'storage' e produzione di idrogeno (PM.P03.005.001) (Modulo)

Autore CNR

• MAURIZIO PERUZZINI (Unità di personale interno)
• ANDREA ROSSIN (Persona)

Incoming links:

Prodotto

• Istituto di chimica dei composti organo metallici (ICCOM) (Istituto)
• Nuovi materiali per 'storage' e produzione di idrogeno (PM.P03.005.001) (Modulo)

Autore CNR di

• MAURIZIO PERUZZINI (Unità di personale interno)
• ANDREA ROSSIN (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Inorganic chemistry (Rivista)

Editore di

• American Chemical Society (Editore)