Predicting Dinitrogen Coupling with a Series of Small Molecules Catalyzed by a Pincer Complex.

Chemistry, an Asian Journal
Qin ZhuJun Zhu

Abstract

Due to consumption of more than 2% of the world's annual energy supply by Haber-Bosch process and the strongest triple bond (N≡N) in nature, directly coupling N2 with small molecules is particularly important and challenging, let alone in a catalytic fashion. Here we first demonstrate that a NNN-type pincer phosphorus complex could act as a catalyst to couple dinitrogen with a series of small molecules including carbon dioxide, formaldehyde, N-ethylidenemethylamine, and acetonitrile in the presence of diborane(4) under a mild condition by theoretical calculations. N2 fixation proceeds via a stepwise mechanism involving initial N2 activation by diborane(4), followed by intramolecular isomerization to a key intermediate (zwitterion). Such a zwitterion can be used to couple a series of small molecules with activation barriers of 23.5-25.2 kcal mol-1 . All these findings could be particularly useful for main group chemistry aimed at N2 activation.

References

Nov 7, 1996·Chemical Reviews·James B. Howard, Douglas C. Rees
Jul 5, 2003·Science·Dmitry V Yandulov, Richard R Schrock
Sep 18, 2004·Angewandte Chemie·Sandro Gambarotta, Jennifer Scott
May 12, 1995·Science·C E Laplaza, C C Cummins
Mar 11, 2008·Journal of the American Chemical Society·Donald J KnoblochPaul J Chirik
Dec 6, 2008·Chemistry : a European Journal·Pekka Pyykkö, Michiko Atsumi
Sep 26, 2009·Science·R Stuart Haszeldine
Dec 14, 2011·Journal of Computational Chemistry·Tian Lu, Feiwu Chen
Dec 30, 2011·Chemical Reviews·Kenji SumidaJeffrey R Long
Jun 22, 2013·Nature Chemistry·K Cory Macleod, Patrick L Holland
May 8, 2014·Chemical Society Reviews·Cornelis J M van der HamDennis G H Hetterscheid
Nov 18, 2014·Journal of the American Chemical Society·Wei ZhaoAlexander T Radosevich
Sep 26, 2015·Angewandte Chemie·Thomas P RobinsonJose M Goicoechea
Jan 26, 2017·The Journal of Physical Chemistry. a·Weston Thatcher Borden
Mar 18, 2017·Journal of the American Chemical Society·Fuyuhiko InagakiChisato Mukai
Apr 12, 2017·Journal of the American Chemical Society·Yi-Chun LinAlexander T Radosevich
Oct 11, 2017·Journal of the American Chemical Society·Klara EdelHolger F Bettinger
Feb 24, 2018·Science·Marc-André LégaréHolger Braunschweig
May 26, 2018·Science·Jingguang G ChenRichard R Schrock
Jun 21, 2018·Journal of the American Chemical Society·Akira Tanushi, Alexander T Radosevich
Oct 5, 2018·Journal of the American Chemical Society·Chongyi LingJinlan Wang
Mar 23, 2019·Science·Marc-André LégaréHolger Braunschweig
May 24, 2019·Journal of the American Chemical Society·Ze-Jie LvZhenfeng Xi
Jul 26, 2019·Nature Chemistry·Kazunari NakajimaYoshiaki Nishibayashi
Dec 6, 2019·Chemistry : a European Journal·Huaiyu ZhangYirong Mo
Mar 13, 2020·Journal of the American Chemical Society·Longfei LiHenry F Schaefer
May 1, 2020·Chemical Reviews·Matthew J ChalkleyJonas C Peters
May 5, 2020·Chemical Reviews·Devender SinghLeslie J Murray
Jun 17, 2020·Nature Chemistry·Chen ChenShuangyin Wang
Aug 14, 2020·Journal of the American Chemical Society·Xiaoqing XinCongqing Zhu
May 4, 2021·Chemistry, an Asian Journal·Shicheng Dong, Jun Zhu

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