Silicene catalyzed reduction of nitrobenzene to aniline: A mechanistic study

Silicene catalyzed reduction of nitrobenzene to aniline: A mechanistic study Chemical Physics Letters 695 (2018) 228–234 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Silicene catalyzed reduction of nitrobenzene to aniline: A mechanistic study Christopher Morrissey, Haiying He Department of Physics and Astronomy, Valparaiso University, Valparaiso, IN 46383, United States ar ti c l e i nf o ab stra ct Article history: The reduction of nitrobenzene to aniline has broad applications in chemical and pharmaceutical indus- Received 30 November 2017 tries. The high reaction temperatures and pressures and unavoidable hazardous chemicals of current In final form 8 February 2018 metal catalysts call for more environmentally friendly non-metal catalysts. In this study, the plausibility Available online 9 February 2018 of silicene as a potential catalyst for nitrobenzene reduction is investigated with a focus on the distinct reaction mechanism based on the density functional theory. The direct reaction pathway was shown to ⁄ ⁄ ⁄ ⁄ be distinctly different from the Haber mechanism following PhNO ? PhNO ? PhNHO ? PhNH O ? 2 2 PhNH . The hydroxyl groups remain bound to silicene after aniline is formed and acquire a high activa- tion barrier to remove. 2018 Elsevier B.V. All rights reserved. 1. Introduction http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemical Physics Letters Elsevier

Silicene catalyzed reduction of nitrobenzene to aniline: A mechanistic study

Loading next page...
 
/lp/elsevier/silicene-catalyzed-reduction-of-nitrobenzene-to-aniline-a-mechanistic-eycNrkRdZQ
Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
0009-2614
eISSN
1873-4448
D.O.I.
10.1016/j.cplett.2018.02.027
Publisher site
See Article on Publisher Site

Abstract

Chemical Physics Letters 695 (2018) 228–234 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Silicene catalyzed reduction of nitrobenzene to aniline: A mechanistic study Christopher Morrissey, Haiying He Department of Physics and Astronomy, Valparaiso University, Valparaiso, IN 46383, United States ar ti c l e i nf o ab stra ct Article history: The reduction of nitrobenzene to aniline has broad applications in chemical and pharmaceutical indus- Received 30 November 2017 tries. The high reaction temperatures and pressures and unavoidable hazardous chemicals of current In final form 8 February 2018 metal catalysts call for more environmentally friendly non-metal catalysts. In this study, the plausibility Available online 9 February 2018 of silicene as a potential catalyst for nitrobenzene reduction is investigated with a focus on the distinct reaction mechanism based on the density functional theory. The direct reaction pathway was shown to ⁄ ⁄ ⁄ ⁄ be distinctly different from the Haber mechanism following PhNO ? PhNO ? PhNHO ? PhNH O ? 2 2 PhNH . The hydroxyl groups remain bound to silicene after aniline is formed and acquire a high activa- tion barrier to remove. 2018 Elsevier B.V. All rights reserved. 1. Introduction

Journal

Chemical Physics LettersElsevier

Published: Mar 1, 2018

References

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.

All for just $49/month

Explore the DeepDyve Library

Search

Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly

Organize

Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.

Access

Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

DeepDyve

Freelancer

DeepDyve

Pro

Price

FREE

$49/month
$360/year

Save searches from
Google Scholar,
PubMed

Create lists to
organize your research

Export lists, citations

Read DeepDyve articles

Abstract access only

Unlimited access to over
18 million full-text articles

Print

20 pages / month

PDF Discount

20% off