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Prediction of Retention Indexes from Molecular Structures of Brominated Alkanes

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Abstract

The relationship between the molecular structure of brominated alkanes and their retention index (I) in gas chromatography is discussed. The / for a given monobromide can be predicted by considering the increment of I by a bromine atom and the correction values for the hindrance effect through alkyl chains. On the other hand, the calculation of the I for dibromides requires introduction of the additional increment, which is determined by the positional relationship between two bromine atoms in the same molecule. The / for halides possessing both chlorine and bromine atoms may be calculated by use of the average values of the positional increments for CI-CI and Br-Br.

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Authors and Affiliations

  1. Department of Industrial Chemistry, Faculty of Engineering, Kyoto University, Yoshida, Kyoto, 606, Japan

    Fujio Morishita, Takashi Ueda, Yushi Terashima & Tsugio Kojima

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  1. Fujio Morishita
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  2. Takashi Ueda
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  3. Yushi Terashima
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  4. Tsugio Kojima
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Morishita, F., Ueda, T., Terashima, Y. et al. Prediction of Retention Indexes from Molecular Structures of Brominated Alkanes. ANAL. SCI. 1, 9–12 (1985). https://doi.org/10.2116/analsci.1.9

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  • DOI: https://doi.org/10.2116/analsci.1.9

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