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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)
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Title
| - Small steric effects in isolated molecules: alkyl-substituted benzonitriles.
- Small steric effects in isolated molecules: alkyl-substituted benzonitriles. (en)
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skos:prefLabel
| - Small steric effects in isolated molecules: alkyl-substituted benzonitriles.
- Small steric effects in isolated molecules: alkyl-substituted benzonitriles. (en)
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skos:notation
| - RIV/60461373:22310/02:00006430!RIV/2004/MSM/223104/N
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/60461373:22310/02:00006430
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - steric; effect; basicity; benzonitrile; deriv (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal Chemical Society, Perkin Transactions 2
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...ocetUcastnikuAkce
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http://linked.open...nichUcastnikuAkce
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Böhm, Stanislav
- Exner, Otto
- Decouzon, Michele
- Maria, Pierre-Charles
- Gal, Jean-François
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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http://localhost/t...ganizacniJednotka
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