Reduction of nitrogen oxides (NOx) by superalkalis

Reduction of nitrogen oxides (NOx) by superalkalis Chemical Physics Letters 695 (2018) 205–210 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Reduction of nitrogen oxides (NO ) by superalkalis Ambrish Kumar Srivastava P. G. Department of Physics, Veer Kunwar Singh University, Ara 802301, Bihar, India article i nfo abstract Article history: NO are major air pollutants, having negative impact on environment and consequently, human health. Received 31 December 2017 We propose here the single-electron reduction of NO (x = 1, 2) using superalkalis. We study the interac- In final form 9 February 2018 tion of NO with FLi , OLi and NLi superalkalis using density functional and single-point CCSD(T) calcu- x 2 3 4 Available online 10 February 2018 lations, which lead to stable superalkali-NO ionic complexes with negatively charged NO . This clearly x x reveals that the NO can successfully be reduced to NO anion due to electron transfer from superalkalis. x x Keywords: It has been also noticed that the size of superalkalis plays a crucial in the single-electron reduction of NO . NO -reduction 2018 Elsevier B.V. All rights reserved. Air pollutants Superalkalis Charge transfer DFT calculations 1. Introduction the design of supersalts [13–16], superbases [17–20], alkalides http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemical Physics Letters Elsevier

Reduction of nitrogen oxides (NOx) by superalkalis

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
0009-2614
eISSN
1873-4448
D.O.I.
10.1016/j.cplett.2018.02.029
Publisher site
See Article on Publisher Site

Abstract

Chemical Physics Letters 695 (2018) 205–210 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Reduction of nitrogen oxides (NO ) by superalkalis Ambrish Kumar Srivastava P. G. Department of Physics, Veer Kunwar Singh University, Ara 802301, Bihar, India article i nfo abstract Article history: NO are major air pollutants, having negative impact on environment and consequently, human health. Received 31 December 2017 We propose here the single-electron reduction of NO (x = 1, 2) using superalkalis. We study the interac- In final form 9 February 2018 tion of NO with FLi , OLi and NLi superalkalis using density functional and single-point CCSD(T) calcu- x 2 3 4 Available online 10 February 2018 lations, which lead to stable superalkali-NO ionic complexes with negatively charged NO . This clearly x x reveals that the NO can successfully be reduced to NO anion due to electron transfer from superalkalis. x x Keywords: It has been also noticed that the size of superalkalis plays a crucial in the single-electron reduction of NO . NO -reduction 2018 Elsevier B.V. All rights reserved. Air pollutants Superalkalis Charge transfer DFT calculations 1. Introduction the design of supersalts [13–16], superbases [17–20], alkalides

Journal

Chemical Physics LettersElsevier

Published: Mar 1, 2018

References

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