Synthesis, characterization and photophysical studies of a novel polycyclic diborane

Treatment of tetrakis(dimethylamino)diboron (B₂(NMe₂)₄) with 1,4-bis (2-(triisopropylsilyl)ethynyl)naphthalene-2,3-diamine (1) generated a large NBBN polycyclic compound 1,1-B₂{2,3-(NH)₂ -1,4-(ⁱPr₃ SiC₂)₂C₁₀H₄} (2). The X-ray structure analysis reveals that 2 has a twisted structure (dihedral angle...

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Main Authors: Yao, Chang-Jiang, Zhao, Kexiang, Long, Guankui, Li, Xinxiong, Gong, Zhong-Liang, Zhong, Yu-Wu, Gao, Weibo, Li, Yongxin, Ganguly, Rakesh, Li, Gang, Zhang, Qichun
Other Authors: School of Materials Science and Engineering
Format: Journal Article
Language:English
Published: 2021
Subjects:
Online Access:https://hdl.handle.net/10356/150219
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author Yao, Chang-Jiang
Zhao, Kexiang
Long, Guankui
Li, Xinxiong
Gong, Zhong-Liang
Zhong, Yu-Wu
Gao, Weibo
Li, Yongxin
Ganguly, Rakesh
Li, Gang
Zhang, Qichun
author2 School of Materials Science and Engineering
author_facet School of Materials Science and Engineering
Yao, Chang-Jiang
Zhao, Kexiang
Long, Guankui
Li, Xinxiong
Gong, Zhong-Liang
Zhong, Yu-Wu
Gao, Weibo
Li, Yongxin
Ganguly, Rakesh
Li, Gang
Zhang, Qichun
author_sort Yao, Chang-Jiang
collection NTU
description Treatment of tetrakis(dimethylamino)diboron (B₂(NMe₂)₄) with 1,4-bis (2-(triisopropylsilyl)ethynyl)naphthalene-2,3-diamine (1) generated a large NBBN polycyclic compound 1,1-B₂{2,3-(NH)₂ -1,4-(ⁱPr₃ SiC₂)₂C₁₀H₄} (2). The X-ray structure analysis reveals that 2 has a twisted structure (dihedral angle ≈ 21.75°) with a rather short B-B bond (1.667(9) Å). Theoretical calculations on 1,1-B₂ isomer 2 and its counterpart 1,2-B₂ isomer 3 have been conducted to understand their frontier orbital energy levels. Compound 2 shows strong emission with a high quantum yield of 0.52, despite the presence of many unbeneficial non-radiative behaviors such as the vibration of the TIPS groups and the rotation of the B-B single bond.
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spelling ntu-10356/1502192021-06-09T07:38:57Z Synthesis, characterization and photophysical studies of a novel polycyclic diborane Yao, Chang-Jiang Zhao, Kexiang Long, Guankui Li, Xinxiong Gong, Zhong-Liang Zhong, Yu-Wu Gao, Weibo Li, Yongxin Ganguly, Rakesh Li, Gang Zhang, Qichun School of Materials Science and Engineering School of Physical and Mathematical Sciences Science::Chemistry Crystal Structure Synthesis Treatment of tetrakis(dimethylamino)diboron (B₂(NMe₂)₄) with 1,4-bis (2-(triisopropylsilyl)ethynyl)naphthalene-2,3-diamine (1) generated a large NBBN polycyclic compound 1,1-B₂{2,3-(NH)₂ -1,4-(ⁱPr₃ SiC₂)₂C₁₀H₄} (2). The X-ray structure analysis reveals that 2 has a twisted structure (dihedral angle ≈ 21.75°) with a rather short B-B bond (1.667(9) Å). Theoretical calculations on 1,1-B₂ isomer 2 and its counterpart 1,2-B₂ isomer 3 have been conducted to understand their frontier orbital energy levels. Compound 2 shows strong emission with a high quantum yield of 0.52, despite the presence of many unbeneficial non-radiative behaviors such as the vibration of the TIPS groups and the rotation of the B-B single bond. 2021-06-09T07:38:57Z 2021-06-09T07:38:57Z 2019 Journal Article Yao, C., Zhao, K., Long, G., Li, X., Gong, Z., Zhong, Y., Gao, W., Li, Y., Ganguly, R., Li, G. & Zhang, Q. (2019). Synthesis, characterization and photophysical studies of a novel polycyclic diborane. New Journal of Chemistry, 43(2), 564-568. https://dx.doi.org/10.1039/C8NJ05550E 1144-0546 https://hdl.handle.net/10356/150219 10.1039/C8NJ05550E 2-s2.0-85059552637 2 43 564 568 en New Journal of Chemistry © 2019 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. All rights reserved.
spellingShingle Science::Chemistry
Crystal Structure
Synthesis
Yao, Chang-Jiang
Zhao, Kexiang
Long, Guankui
Li, Xinxiong
Gong, Zhong-Liang
Zhong, Yu-Wu
Gao, Weibo
Li, Yongxin
Ganguly, Rakesh
Li, Gang
Zhang, Qichun
Synthesis, characterization and photophysical studies of a novel polycyclic diborane
title Synthesis, characterization and photophysical studies of a novel polycyclic diborane
title_full Synthesis, characterization and photophysical studies of a novel polycyclic diborane
title_fullStr Synthesis, characterization and photophysical studies of a novel polycyclic diborane
title_full_unstemmed Synthesis, characterization and photophysical studies of a novel polycyclic diborane
title_short Synthesis, characterization and photophysical studies of a novel polycyclic diborane
title_sort synthesis characterization and photophysical studies of a novel polycyclic diborane
topic Science::Chemistry
Crystal Structure
Synthesis
url https://hdl.handle.net/10356/150219
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