Symmetric Fluoroborate and its Boron Modification: Crystal and Electronic Structures
by
Błażej Dziuk 1,2, Borys Ośmiałowski 3, Bartosz Zarychta 1, Krzysztof Ejsmont 1 and Lilianna Chęcińska 4,*
Błażej Dziuk 1,2, Borys Ośmiałowski 3, Bartosz Zarychta 1, Krzysztof Ejsmont 1 and Lilianna Chęcińska 4,*
1
Faculty of Chemistry, Opole University, Oleska 48, 45-052 Opole, Poland
2
Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland
3
Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, 87-100 Toruń, Poland
4
Faculty of Chemistry, University of Lodz, Pomorska 163/165, 90-236 Łódź, Poland
*
Author to whom correspondence should be addressed.
Crystals 2019, 9(12), 662; https://doi.org/10.3390/cryst9120662
Received: 18 November 2019 / Revised: 3 December 2019 / Accepted: 5 December 2019 / Published: 9 December 2019
(This article belongs to the Special Issue Experimental and Theoretical Electron-Density Study of Crystalline Materials)
Four boron-carrying molecules were synthesized and purified. These were found to be (a) relatively neutral with respect to the parent BF derivative and (b) functionalized by donor–acceptor groups resulting in a charge transfer within the molecule. The study discusses the steric effect and the influence of the substitution of the side rings on the surroundings of the boron atom. Electronic structures were characterized by real-space bonding indicators. Hirshfeld surface and energy frameworks tools were applied to examine the crystal packing features.
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Keywords:
fluroborates; electron density; RSBI; charge transfer; analogs of BODIPY dyes
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MDPI and ACS Style
Dziuk, B.; Ośmiałowski, B.; Zarychta, B.; Ejsmont, K.; Chęcińska, L. Symmetric Fluoroborate and its Boron Modification: Crystal and Electronic Structures. Crystals 2019, 9, 662.
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