About: Small steric effects in isolated molecules: alkyl-substituted benzonitriles.

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About: Small steric effects in isolated molecules: alkyl-substituted benzonitriles. 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)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A series of seven alkyl-substituted benzonitriles was investigated as a model for small steric effects (van der Waals tension) excluding any steric inhibition due to resonance. The energies were calcd. at a B3LYP/6-311+G(d,p) level and the gas-phase basicities of some compds. were measured by Fourier-transform ion cyclotron resonance. Substituent effects were evaluated sep. for neutral mols. and protonated forms by means of isodesmic reactions, and dissected into polar and steric effects by comparing ortho and para derivs. One or two ortho Me groups have a relatively small steric effect operating almost exclusively in the protonated form which leads to weakened basicity. An ortho tert-Bu group exerts a strong steric effect both in A series of seven alkyl-substituted benzonitriles was investigated as a model for small steric effects (van der Waals tension) excluding any steric inhibition due to resonance. The energies were calcd. at a B3LYP/6-311+G(d,p) level and the gas-phase basicities of some compds. were measured by Fourier-transform ion cyclotron resonance. Substituent effects were evaluated sep. for neutral mols. and protonated forms by means of isodesmic reactions, and dissected into polar and steric effects by comparing ortho and para derivs. One or two ortho Me groups have a relatively small steric effect operating almost exclusively in the protonated form which leads to weakened basicity. An ortho tert-Bu group exerts a strong steric effect both in (en)
Title	Small steric effects in isolated molecules: alkyl-substituted benzonitriles. Small steric effects in isolated molecules: alkyl-substituted benzonitriles. (en)
skos:prefLabel	Small steric effects in isolated molecules: alkyl-substituted benzonitriles. Small steric effects in isolated molecules: alkyl-substituted benzonitriles. (en)
skos:notation	RIV/60461373:22310/02:00006430!RIV/2004/MSM/223104/N
http://linked.open.../vavai/riv/strany	168-172
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM 223100001)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2004
http://linked.open...aciTvurceVysledku	Böhm, Stanislav
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	663913
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/02:00006430
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	steric; effect; basicity; benzonitrile; deriv (en)
http://linked.open.../riv/klicoveSlovo	effect steric basicity benzonitrile deriv
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[E8CBCA5EA72B]
http://linked.open...i/riv/nazevZdroje	Journal Chemical Society, Perkin Transactions 2
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (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	N
http://linked.open...iv/tvurceVysledku	Böhm, Stanislav Exner, Otto Decouzon, Michele Maria, Pierre-Charles Gal, Jean-François
http://linked.open...n/vavai/riv/zamer	http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20223100001
issn	0300-9580
number of pages	5 (xsd:int)
http://localhost/t...ganizacniJednotka	22310

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