Issue 48, 2016
From the journal:

Dalton Transactions

Indirect synthesis of a pair of formal methane activation products at a phosphane/borane frustrated Lewis pair†

Silke Frömel,a   Constantin G. Daniliuc,‡a   Christoph Bannwarth,§b   Stefan Grimme,§b   Kathrin Bussmann,a   Gerald Kehra  and  Gerhard Erker*a  

* Corresponding authors

a Organisch-Chemisches Institut, Universität Münster, Corrensstrasse 40, 48149 Münster, Germany
E-mail: erker@uni-muenster.de
Fax: +49-251-8336503

b Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Beringstr. 4, D-53115 Bonn, Germany

Abstract

The regioisomeric formal Mes2PCH2CH2B(C6F5)2 FLP methane splitting products Mes2P(H)CH2CH2B(CH3)(C6F5)2 and Mes2P(CH3)CH2CH2B(H)(C6F5)2 were produced by indirect stepwise reactions. They were stable at 60 °C and were both characterized by X-ray diffraction. A DFT analysis revealed that their formation from the FLP and CH4 would be endergonic by +6.9 and +3.6 kcal mol−1, respectively, and it indicated that methane elimination from the zwitterionic products is kinetically hindered by barriers of 54.0 and 72.3 kcal mol−1, respectively.

Graphical abstract: Indirect synthesis of a pair of formal methane activation products at a phosphane/borane frustrated Lewis pair

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Article information

DOI
https://doi.org/10.1039/C6DT04206F
Article type
Communication
Submitted
03 Nov 2016
Accepted
14 Nov 2016
First published
14 Nov 2016
This article is Open Access
Creative Commons BY license

Dalton Trans., 2016,45, 19230-19233

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Indirect synthesis of a pair of formal methane activation products at a phosphane/borane frustrated Lewis pair

S. Frömel, C. G. Daniliuc, C. Bannwarth, S. Grimme, K. Bussmann, G. Kehr and G. Erker, Dalton Trans., 2016, 45, 19230 DOI: 10.1039/C6DT04206F

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