✦ LIBER ✦

A method for the identification of branched-chain paraffins by calculation of their retention index values on the basis of molecular structure and physical properties

✍ Scribed by Gianrico Castello; Maurizio Lunardelli; Miriam Berg

Publisher: Elsevier Science
Year: 1973
Tongue: English
Weight: 942 KB
Volume: 76
Category: Article
ISSN: 1873-3778
DOI: 10.1016/s0021-9673(01)97775-1

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✦ Synopsis

PROPERTIES+ %Ilc retention times of br:uxAled-chnin pamflins were shown to depend on their physical properties, especially molecular volume, when non-polar pleases were used for their separation. As the molecular volume depends strongly on structure, the calculation of additive terms, which arc characteristic of every structural group in a molecule, can permit the tlleoretiq.1 calculation of the retention indices of any branched isomer.

The additive terms can be calculated both by solving a system of equations and by comparison of the retention indices of sclectcd compounds.

The general application of the method to retention data taken from the literature is also possible.

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Contribution to the theory of the retention index system : III. Retention index and molecular structure. Calculation of retention indices of paraffin hydrocarbons on the basis of their molecular structure

✍ J. Takács; C. Szita; G. Tarján 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 941 KB

While studying the correlation between retention index and molecular structure, we developed an approximation method by which the retention index of a substance can be determined on the basis of its molecular structure. The results obtained which only serve as a modest demonstration of the method in