Density functional theory study on the reaction of triazol-3-one with nitronium: direct nitration versus acidic group-induced nitration1. Issue 32 (10th April 2015)

• Record Type: Journal Article
• Authors: Wang, Kuan; Chen, Jian-Gang; Wang, Bozhou; Liu, Fengyi; Liu, Zhao-Tie; Liu, Zhong-Wen; Wang, Wenliang; Jiang, Jinqiang; Hao, Zhengping; Lu, Jian
• Is Part Of: RSC advances. Volume 5:Issue 32(2015)
• Page Start: 25183
• Page End: 25191
• Publication Date: 2015-04-10
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c4ra16718j
• Languages: English
• ISSNs: 2046-2069

Abstract

<abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgjbg5898h" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />Herein, an unexpected induction effect derived from the coexisted acid group (NO₃⁻ and/or HSO₄⁻) was proposed. The impact of the induction effect and the resulted enhanced catalytic effect on the nitration of TO was systematically demonstrated.</p> </abstract>