About: The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The chalcogen bond is a nonclassical sigma-hole-based noncovalent interaction with emerging applications in medicinal chemistry and material science. It is found in organic compounds, including 2D aromatics, but has so far never been observed in 3D aromatic inorganic boron hydrides. Thiaboranes, harboring a sulfur heteroatom in the icosahedral cage, are candidates for the formation of chalcogen bonds. The phenylsubstituted thiaborane, synthesized and crystalized in this study, forms sulfur center dot center dot center dot pi type chalcogen bonds. Quantum chemical analysis revealed that these interactions are considerably stronger than both in their organic counterparts and in the known halogen bond. The reason is the existence of a highly positive sigma-hole on the positively charged sulfur atom. This discovery expands the possibilities of applying substituted boron clusters in crystal engineering and drug design. The chalcogen bond is a nonclassical sigma-hole-based noncovalent interaction with emerging applications in medicinal chemistry and material science. It is found in organic compounds, including 2D aromatics, but has so far never been observed in 3D aromatic inorganic boron hydrides. Thiaboranes, harboring a sulfur heteroatom in the icosahedral cage, are candidates for the formation of chalcogen bonds. The phenylsubstituted thiaborane, synthesized and crystalized in this study, forms sulfur center dot center dot center dot pi type chalcogen bonds. Quantum chemical analysis revealed that these interactions are considerably stronger than both in their organic counterparts and in the known halogen bond. The reason is the existence of a highly positive sigma-hole on the positively charged sulfur atom. This discovery expands the possibilities of applying substituted boron clusters in crystal engineering and drug design. (en)
Title	The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics (en)
skos:prefLabel	The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics (en)
skos:notation	RIV/61388980:_____/14:00434589!RIV15-GA0-61388980
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(ED2.1.00/03.0058), P(GAP208/10/2269), P(GBP208/12/G016)
http://linked.open...iv/cisloPeriodika	38
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Holub, Josef Hnyk, Drahomír Macháček, Jan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav anorganické chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	12170
http://linked.open...ai/riv/idVysledku	RIV/61388980:_____/14:00434589
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	boranes; chalcogen bonds; crystal structures; sulfur; X-ray diffraction (en)
http://linked.open.../riv/klicoveSlovo	chalcogen bonds boranes sulfur crystal structures X-ray diffraction
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[72135EA021AA]
http://linked.open...i/riv/nazevZdroje	Angewandte Chemie - International Edition
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	10 (xsd:int)
http://linked.open...vavai/riv/projekt	Controlling structure and function of biomolecules at the molecular scale: theory meets experiment Regional Centre of Advanced Technologies and Materials Vývoj a strukturní charateristika možných prekursorů borových nanotrubic na bázi spojených ikosahedronů. Sdílené ikosahedrony kovem.
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	53
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Holub, Josef Lepšík, Martin Macháček, Jan Padělková, Z. Růžička, A. Fanfrlík, Jindřich Hnyk, Drahomír Pecina, Adam Přáda, A.
http://linked.open...ain/vavai/riv/wos	000342761700025
issn	1433-7851
number of pages	4 (xsd:int)
http://bibframe.org/vocab/doi	10.1002/anie.201405901

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 58 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software