Computational evidence for a new type of η2-H2 complex

When main-group elements act in concert to emulate transition metals

Lászlõ Könczöl, Eszter Makkos, Didier Bourissou, D. Szieberth

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

A bit on the side: A computational study of the reaction between a diphosphinoborane and dihydrogen has shown that, in marked contrast to other FLP systems, the reaction involves a symmetric dihydrogen complex as an intermediate. Thorough analysis has revealed an unusual bonding situation, namely side-on coordination of H2 to the central boron center and weak contacts with the peripheral donor phosphine groups (see calculated structure).

Original languageEnglish
Pages (from-to)9521-9524
Number of pages4
JournalAngewandte Chemie - International Edition
Volume51
Issue number38
DOIs
Publication statusPublished - Sep 17 2012

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phosphine
Boron
Chemical elements
Transition metals

Keywords

  • boron
  • DFT calculations
  • dihydrogen
  • frustrated Lewis pairs
  • phosphorus

ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis

Cite this

Computational evidence for a new type of η2-H2 complex : When main-group elements act in concert to emulate transition metals. / Könczöl, Lászlõ; Makkos, Eszter; Bourissou, Didier; Szieberth, D.

In: Angewandte Chemie - International Edition, Vol. 51, No. 38, 17.09.2012, p. 9521-9524.

Research output: Contribution to journalArticle

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