Activation of H2 using ansa-aminoboranes: solvent effects, dynamics, and spin hyperpolarization

Author:

Konsewicz Karolina1,Laczkó Gergely23,Pápai Imre2ORCID,Zhivonitko Vladimir V.1ORCID

Affiliation:

1. NMR Research Unit, Faculty of Science, University of Oulu, P.O. Box 3000, Oulu, 90014, Finland

2. Institute of Organic Chemistry, Research Centre for Natural Sciences, Magyar Tudósok Körútja 2, H-1117 Budapest, Hungary

3. Hevesy György PhD School of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest, Hungary

Abstract

We present an experimental-computational study of metal-free H2 activation by ansa-aminoboranes in various solvents, including molecular level dynamics, thermochemistry, and spin hyperpolarization PHIP effects in the activation of parahydrogen.

Funder

Kvantum-instituutti, Oulun Yliopisto

Academy of Finland

Nemzeti Kutatási Fejlesztési és Innovációs Hivatal

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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