About: Equilibrium structures of isolated (halogenated) fluorolithiomethanes.

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About: Equilibrium structures of isolated (halogenated) fluorolithiomethanes. Goto Sponge Distinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Equil. structures of isolated fluorolithiomethanes, chlorofluorolithiomethanes, bromofluorolithiomethanes, and bromochlorofluorolithiomethane have been calcd. at the HF/6-31+G(d,p) and MP2/6-31+G(d,p) levels. Depending on the no. of halogens and the computational method employed, five distinct min. structures could be recognized, viz. normal tetrahedral without coordination of halogen (T), trigonal bidentate with coordination of carbon and halogen to lithium (BCX), tetrahedral tridentate with coordination of carbon and two halogens to lithium (TCX2), quadrilateral bidentate with coordination of two halogens to lithium (BX2), and bipyramidal tridentate with coordination of three halogens to lithium (TX3). Equil. structures of isolated fluorolithiomethanes, chlorofluorolithiomethanes, bromofluorolithiomethanes, and bromochlorofluorolithiomethane have been calcd. at the HF/6-31+G(d,p) and MP2/6-31+G(d,p) levels. Depending on the no. of halogens and the computational method employed, five distinct min. structures could be recognized, viz. normal tetrahedral without coordination of halogen (T), trigonal bidentate with coordination of carbon and halogen to lithium (BCX), tetrahedral tridentate with coordination of carbon and two halogens to lithium (TCX2), quadrilateral bidentate with coordination of two halogens to lithium (BX2), and bipyramidal tridentate with coordination of three halogens to lithium (TX3). (en)
Title	Equilibrium structures of isolated (halogenated) fluorolithiomethanes. Equilibrium structures of isolated (halogenated) fluorolithiomethanes. (en)
skos:prefLabel	Equilibrium structures of isolated (halogenated) fluorolithiomethanes. Equilibrium structures of isolated (halogenated) fluorolithiomethanes. (en)
skos:notation	RIV/60461373:22310/02:00006496!RIV/2004/MSM/223104/N
http://linked.open.../vavai/riv/strany	147-154
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM 223100001)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2004
http://linked.open...aciTvurceVysledku	Böhm, Stanislav Kvíčala, Jaroslav Paleta, Oldřich
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	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	645203
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/02:00006496
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Fluorocarbanion; fluorohalocarbanion; fluorolithiomethane; fluorohalolithiomethane; fluoromethyllithium; fluorohalomethyllithium; ab initio calculation (en)
http://linked.open.../riv/klicoveSlovo	ab initio calculation Fluorocarbanion fluorohalocarbanion fluorohalolithiomethane fluorohalomethyllithium fluorolithiomethane fluoromethyllithium
http://linked.open...odStatuVydavatele	BE - Belgické království
http://linked.open...ontrolniKodProRIV	[A96BB0CE00D4]
http://linked.open...i/riv/nazevZdroje	Journal of Fluorine Chemistry
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	113
http://linked.open...iv/tvurceVysledku	Böhm, Stanislav Kvíčala, Jaroslav Paleta, Oldřich Štambaský, Jan
http://linked.open...n/vavai/riv/zamer	http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20223100001
issn	0022-1139
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	22310

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