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
Chemical Physics Letters – Elsevier
Published: Mar 1, 2018
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