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Kudryashov, S. Yu.; Onuchak, L. A.; Воронков, А В; Buryak, А. К.; Моисеев, И. К.

doi:10.1023/a:1009511622918

Cited by 2 publications

(1 citation statement)

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“…This overlap brings about a substantial difference between the properties of 1-and 2-substituted isomers, which is manifested, in particular, in the chromatographic separation on phases having different polarity. The allowance made for the cage effect for chloro- 63 and amino-substituted adamantane isomers 64 permitted the prediction of the correct order of isomer elution from a column packed with GTCB, whereas traditional calculations 65 did not provide a correct prediction. The overlap of the orbitals of the bridgehead carbon atoms and their influence on the substituent (amino group) polarisability is illustrated by Fig.…”

Section: E the Introduction Of Corrections For Ortho-effectsmentioning

confidence: 99%

The use of molecular-statistical methods for the calculation of thermodynamic characteristics of adsorption for identification of organic compounds by gas chromatography–mass spectrometry

Buryak¹

2002

Russ. Chem. Rev.

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The current state of research on the theoretical descrip-The current state of research on the theoretical description of adsorption in the Henry region by semiempirical molec-tion of adsorption in the Henry region by semiempirical molecular-statistical procedures, as applied to identification of organic ular-statistical procedures, as applied to identification of organic compounds in complex mixtures, is considered. Various compounds in complex mixtures, is considered. Various approaches to correcting the atom ± atom potential parameters approaches to correcting the atom ± atom potential parameters used to determine thermodynamic characteristics of adsorption used to determine thermodynamic characteristics of adsorption are compared. Examples of calculations involved in the chromato-are compared. Examples of calculations involved in the chromatographic and chromatography ± mass spectrometric identification graphic and chromatography ± mass spectrometric identification of model and real organic compounds including isomers are given. of model and real organic compounds including isomers are given. The bibliography includes 89 references The bibliography includes 89 references. .

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Section: E the Introduction Of Corrections For Ortho-effectsmentioning

confidence: 99%