Issue 14, 2016

Can main group systems act as superior catalysts for dihydrogen generation reactions? A computational investigation

Abstract

The protolytic cleavage of the O–H bond in water and alcohols is a very important reaction, and an important method for producing dihydrogen. Full quantum chemical studies with density functional theory (DFT) reveal that germanium based complexes, such as HC{CMeArB}2GeH (Ar = 2,6-iPr2C6H3), with the assistance of silicon based compounds such as SiF3H, can perform significantly better than the existing state-of-the-art post-transition metal based systems for catalyzing dihydrogen generation from water and alcohols through the protolysis reaction.

Graphical abstract: Can main group systems act as superior catalysts for dihydrogen generation reactions? A computational investigation

Supplementary files

Article information

Article type
Paper
Submitted
17 三月 2015
Accepted
29 五月 2015
First published
01 六月 2015

Dalton Trans., 2016,45, 5968-5977

Author version available

Can main group systems act as superior catalysts for dihydrogen generation reactions? A computational investigation

N. Kuriakose and K. Vanka, Dalton Trans., 2016, 45, 5968 DOI: 10.1039/C5DT01058F

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements