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Hydrogen activation through frustrated Lewis pairs: A quantum chemical perspective.

Abstract

An FLP consisting of perfluorotriphenylborane and triphenylphosphine appears to split H2 spontaneously. Further, we have investigated the dependence of the reaction energy on structural parameters, with an aim towards incorporation of the FLP in a solid material.

Category

Poster

Client

  • Sigma2 / NN2147K
  • Research Council of Norway (RCN) / 325731

Language

English

Author(s)

Affiliation

  • SINTEF Industry / Process Technology

Presented at

17th International Congress of Quantum Chemistry

Place

Bratislava

Date

26.06.2023 - 01.07.2023

Organizer

the International Academy of Quantum Molecular Science.

Year

2023

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