Macropolyhedral syn-B18H22, the “Forgotten” Isomer

Patel, Deepak Kumar; Sooraj, Bhuvanachandrannair Sreekala; Kirakci, Kaplan; Macháček, Jan; Kučeráková, Monika; Bould, Jonathan; Dušek, Michal; Frey, M.; Neumann, C.; Ghosh, S.; Turchanin, A.; Pradeep, T.; Baše, Tomáš

doi:https://dx.doi.org/10.1021/jacs.3c05530

Number of the records: 1

Macropolyhedral syn-B18H22, the “Forgotten” Isomer

1.

SYSNO ASEP	0574399
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Macropolyhedral syn-B18H22, the “Forgotten” Isomer
Author(s)	Patel, Deepak Kumar (UACH-T) Sooraj, Bhuvanachandrannair Sreekala (UACH-T) Kirakci, Kaplan (UACH-T)_{SAI, RID, ORCID} Macháček, Jan (UACH-T)_{RID, ORCID, SAI} Kučeráková, Monika (FZU-D)_{RID, ORCID} Bould, Jonathan (UACH-T)_{SAI, RID, ORCID} Dušek, Michal (FZU-D)_{RID, ORCID, SAI} Frey, M. (DE) Neumann, C. (DE) Ghosh, S. (IN) Turchanin, A. (DE) Pradeep, T. (IN) Baše, Tomáš (UACH-T)_{RID, SAI, ORCID}
Number of authors	13
Source Title	Journal of the American Chemical Society. - : American Chemical Society - ISSN 0002-7863 Roč. 145, č. 32 (2023), s. 17975-17986
Number of pages	12 s.
Language	eng - English
Country	US - United States
Keywords	Boron ; Crystal structure ; Molecular structure ; Supramolecular chemistry, ; Thiols
Subject RIV	CA - Inorganic Chemistry
OECD category	Inorganic and nuclear chemistry
R&D Projects	LTAIN19152 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	LM2023065 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
Research Infrastructure	e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob
Method of publishing	Open access
Institutional support	UACH-T - RVO:61388980 ; FZU-D - RVO:68378271
UT WOS	001042202600001
EID SCOPUS	85168222913
DOI	https://doi.org/10.1021/jacs.3c05530
Annotation	The chemistry and physics of macropolyhedral B18H22 clusters have attracted significant attention dueto theinteresting photophysical properties of anti-B18H22 (blue emission, laser properties) and relatedpotential applications. We have focused our attention on the “forgotten” syn-B18H22 isomer, which has receivedvery little attention since its discovery compared to its anti-B18H22 isomer, presumably becausenumerous studies have reported this isomer as nonluminescent. In ourstudy, we show that in crystalline form, syn-B18H22 exhibits blue fluorescence and becomes phosphorescentwhen substituted at various positions on the cluster, associated withpeculiar microstructural-dependent effects. This work is a combinedtheoretical and experimental investigation that includes the synthesis,separation, structural characterization, and first elucidation ofthe photophysical properties of three different monothiol-substitutedcluster isomers, [1-HS-syn-B18H21] 1, [3-HS-syn-B18H21] 3, and [4-HS-syn-B18H21] 4, of which isomers 1 and 4 have been proved to exist in two different polymorphic forms.All of these newly substituted macropolyhedral cluster derivatives(1, 3, and 4) have been fullycharacterized by NMR spectroscopy, mass spectrometry, single-crystalX-ray diffraction, IR spectroscopy, and luminescence spectroscopy.This study also presents the first report on the mechanochromic shiftin the luminescence of a borane cluster and generally enriches thearea of rather rare boron-based luminescent materials. In addition,we present the first results proving that they are useful constituentsof carbon-free self-assembled monolayers.
Workplace	Institute of Inorganic Chemistry
Contact	Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931
Year of Publishing	2024
Electronic address	https://hdl.handle.net/11104/0344863

Number of the records: 1