About: Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We present an experimental and computational study of the oligomerization in icosahedral closo-(car)boranes Li-2[B12H12] (I) and Li[CB11H12] (II). The experiments were performed on a hybrid ESI-TQ-FT-ICR mass spectrometer equipped with a 7.0 T superconducting magnet. The computational study consisted of finding energy minimum structures for the molecules I, II and the derived anions [B12H12](2-), [CB11H12](-), [I-2-Li](-), and [II2-Li](-), as well as an estimate for the dissociation energy in the processes [X-2-Li](-) -> X + [X-Li](-) with X = I, II. Comparison of experiments and computations shows an excellent agreement for the bond dissociation energy in the process [II2-Li](-) -> II + [II-Li](-) with Delta E = 1.5 eV. We present an experimental and computational study of the oligomerization in icosahedral closo-(car)boranes Li-2[B12H12] (I) and Li[CB11H12] (II). The experiments were performed on a hybrid ESI-TQ-FT-ICR mass spectrometer equipped with a 7.0 T superconducting magnet. The computational study consisted of finding energy minimum structures for the molecules I, II and the derived anions [B12H12](2-), [CB11H12](-), [I-2-Li](-), and [II2-Li](-), as well as an estimate for the dissociation energy in the processes [X-2-Li](-) -> X + [X-Li](-) with X = I, II. Comparison of experiments and computations shows an excellent agreement for the bond dissociation energy in the process [II2-Li](-) -> II + [II-Li](-) with Delta E = 1.5 eV. (en)
Title	Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study (en)
skos:prefLabel	Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study (en)
skos:notation	RIV/61388980:_____/13:00391964!RIV14-GA0-61388980
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP208/10/2269)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Holub, Josef Hnyk, Drahomír
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	61275
http://linked.open...ai/riv/idVysledku	RIV/61388980:_____/13:00391964
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	mass-spectrometry; carboranes; chemistry (en)
http://linked.open.../riv/klicoveSlovo	chemistry carboranes mass-spectrometry
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[CE43D894A796]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry C
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Vývoj a strukturní charateristika možných prekursorů borových nanotrubic na bázi spojených ikosahedronů. Sdílené ikosahedrony kovem.
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	117
http://linked.open...iv/tvurceVysledku	Holub, Josef Gonzalez, J. Hnyk, Drahomír Dávalos, J. Z. Guerrero, A. Oliva, J. M.
http://linked.open...ain/vavai/riv/wos	000314205100034
issn	1932-7447
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp3102354

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