1,6;2,3-Bis-BN Cyclohexane: Synthesis, Structure, and Hydrogen Release.

Dai, Y; Zhang, X; Liu, Y; Yu, H; Su, W; Zhou, J; Ye, Q; Huang, Z

1,6;2,3-Bis-BN Cyclohexane: Synthesis, Structure, and Hydrogen Release.

Dai, Y Zhang, X Liu, Y Yu, H Su, W Zhou, J

Ye, Q Huang, Z

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Publisher:: American Chemical Society (ACS)
Publication Type:: Journal Article
Citation:: J Am Chem Soc, 2022
Issue Date:: 2022-04-21

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Field	Value	Language
dc.contributor.author	Dai, Y
dc.contributor.author	Zhang, X
dc.contributor.author	Liu, Y
dc.contributor.author	Yu, H
dc.contributor.author	Su, W
dc.contributor.author	Zhou, J https://orcid.org/0000-0003-1393-1608
dc.contributor.author	Ye, Q
dc.contributor.author	Huang, Z https://orcid.org/0000-0003-1985-0884
dc.date.accessioned	2022-05-06T07:36:07Z
dc.date.available	2022-05-06T07:36:07Z
dc.date.issued	2022-04-21
dc.identifier.citation	J Am Chem Soc, 2022
dc.identifier.issn	0002-7863
dc.identifier.issn	1520-5126
dc.identifier.uri	http://hdl.handle.net/10453/157100
dc.description.abstract	BN/CC isosterism has been widely investigated as a strategy to expand carbon-based compounds. The introduction of BN units in organic molecules always results in novel properties. In this work, we reported the first synthesis and characterization of 1,6;2,3-bis-BN cyclohexane, an isostere of cyclohexane with two adjacent BN pairs. Its ring flipping barrier is similar to that of cyclohexane. Protic hydrogens on N in 1,6;2,3-bis-BN cyclohexane show higher reactivity than its isomeric bis-BN cyclohexane. This compound exhibits an appealing hydrogen storage capability of >9.0 wt %, nearly twice as much as the 1,2;4,5-bis-BN cyclohexane.
dc.format	Print-Electronic
dc.language	eng
dc.publisher	American Chemical Society (ACS)
dc.relation	http://purl.org/au-research/grants/arc/DP170101773
dc.relation	http://purl.org/au-research/grants/arc/FT190100658
dc.relation.ispartof	J Am Chem Soc
dc.relation.isbasedon	10.1021/jacs.1c13581
dc.rights	info:eu-repo/semantics/embargoedAccess
dc.subject	03 Chemical Sciences
dc.subject.classification	General Chemistry
dc.title	1,6;2,3-Bis-BN Cyclohexane: Synthesis, Structure, and Hydrogen Release.
dc.type	Journal Article
utslib.location.activity	United States
utslib.for	03 Chemical Sciences
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Engineering and Information Technology
pubs.organisational-group	/University of Technology Sydney/Faculty of Engineering and Information Technology/School of Civil and Environmental Engineering
pubs.organisational-group	/University of Technology Sydney/Strength - CTWW - Centre for Technology in Water and Wastewater Treatment
utslib.copyright.status	open_access	*
utslib.copyright.embargo	2023-04-21T00:00:00+1000Z
dc.date.updated	2022-05-06T07:36:05Z
pubs.publication-status	Published online

Abstract:

BN/CC isosterism has been widely investigated as a strategy to expand carbon-based compounds. The introduction of BN units in organic molecules always results in novel properties. In this work, we reported the first synthesis and characterization of 1,6;2,3-bis-BN cyclohexane, an isostere of cyclohexane with two adjacent BN pairs. Its ring flipping barrier is similar to that of cyclohexane. Protic hydrogens on N in 1,6;2,3-bis-BN cyclohexane show higher reactivity than its isomeric bis-BN cyclohexane. This compound exhibits an appealing hydrogen storage capability of >9.0 wt %, nearly twice as much as the 1,2;4,5-bis-BN cyclohexane.

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http://hdl.handle.net/10453/157100