Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile

Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile

An annulated 1,3,2,5‐diazadiborinine with 14 π electrons has been synthesized and fully characterized. Experimental and computational studies revealed that this compound features a rather small HOMO–LUMO gap, which leads to enhanced reactivity towards small molecules. Thus, the 1,3,2,5‐diazadiborini...

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Main Authors: Su, Yuanting, Li, Yongxin, Ganguly, Rakesh, Kinjo, Rei
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2020
Subjects:
Science::Chemistry
Boron
Electronic Structure
Online Access:https://hdl.handle.net/10356/137706
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-1377062020-04-09T04:26:40Z Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile Su, Yuanting Li, Yongxin Ganguly, Rakesh Kinjo, Rei School of Physical and Mathematical Sciences Science::Chemistry Boron Electronic Structure An annulated 1,3,2,5‐diazadiborinine with 14 π electrons has been synthesized and fully characterized. Experimental and computational studies revealed that this compound features a rather small HOMO–LUMO gap, which leads to enhanced reactivity towards small molecules. Thus, the 1,3,2,5‐diazadiborinine readily cleaves the H−H bond of dihydrogen and an N−H bond of ammonia under mild conditions. Moreover, it reacts with 2,6‐dimethylphenylisonitrile in a [4+1] cycloaddition at room temperature. MOE (Min. of Education, S’pore) 2020-04-09T04:26:40Z 2020-04-09T04:26:40Z 2018 Journal Article Su, Y., Li, Y., Ganguly, R., & Kinjo, R. (2018). Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile. Angewandte Chemie International Edition, 57(26), 7846-7849. doi:10.1002/anie.201803938 1433-7851 https://hdl.handle.net/10356/137706 10.1002/anie.201803938 29704290 2-s2.0-85047445660 26 57 7846 7849 en Angewandte Chemie International Edition © 2018 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim. All rights reserved.
institution Nanyang Technological University
building NTU Library
country Singapore
collection DR-NTU
language English
topic Science::Chemistry
Boron
Electronic Structure
spellingShingle Science::Chemistry
Boron
Electronic Structure
Su, Yuanting
Li, Yongxin
Ganguly, Rakesh
Kinjo, Rei
Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile
description An annulated 1,3,2,5‐diazadiborinine with 14 π electrons has been synthesized and fully characterized. Experimental and computational studies revealed that this compound features a rather small HOMO–LUMO gap, which leads to enhanced reactivity towards small molecules. Thus, the 1,3,2,5‐diazadiborinine readily cleaves the H−H bond of dihydrogen and an N−H bond of ammonia under mild conditions. Moreover, it reacts with 2,6‐dimethylphenylisonitrile in a [4+1] cycloaddition at room temperature.
author2 School of Physical and Mathematical Sciences
author_facet School of Physical and Mathematical Sciences
Su, Yuanting
Li, Yongxin
Ganguly, Rakesh
Kinjo, Rei
format Article
author Su, Yuanting
Li, Yongxin
Ganguly, Rakesh
Kinjo, Rei
author_sort Su, Yuanting
title Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile
title_short Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile
title_full Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile
title_fullStr Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile
title_full_unstemmed Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile
title_sort engineering the frontier orbitals of a diazadiborinine for facile activation of h2, nh3, and an isonitrile
publishDate 2020
url https://hdl.handle.net/10356/137706
_version_ 1681059247357427712

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