Abstract
Molecular statistical calculations have been used for estimation of the possibility of chromatographic separation of difluorobiphenyl mixtures. GC-MS investigation of the mixture of difluorobiphenyls has been carried out. It is impossible to identify each isomer with only mass spectrometric data due to the similarity of their mass spectra. A chromato graphic column that makes adequate chromatographic separation possible has been selected based on the molecular statistical calculations. The identification of each isomer resulted from combination of the mass spectrometric investigation results and molecular statistical calculations.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
Reference
A. K. Jatsimirsky, S. A. Deiko, and A. D. Ryabov,Tetrahedron, 198,39, 2381.
N. N. Avgul', A. V. Kiselev, and D. P. Poshkus,Adsorbtsiya gasov i parov no odnorodnykh poverkhnostyakh [Adsorption of gases and vapors on homogeneous surfaces], Khimia, Moscow, 1975, 384 p. (in Russian).
A. K. Buryak and D. P. Poshkus,Izv. Akad. Nouk SSSR, Ser. Khim., 1986, 2697 [Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986,35, 206 (Engl. Transl.)].
A. Almeningen, O. Bagtionsen, and L. Ternhol,J. Mot. Struct., 1985,128, No. 1-3, 115.
L. V. Vilkov, V. S. Mastryukov, and N. I. Sedova,Opredelenie geometricheskogo stroeniya svobodnykh molekul [Determination of geometric structure of free molecules], Khimia, Leningrad, 1978, 223 p. (in Russian).
A. K. Buryak,Izv. Akad. Nouk SSSR, Ser. Khim., 1990, 1995 [Bull. Acad. Sci. USSR, Div. Chem. Sci., 1990,39, 1812 (Engl. Transl.)].
V. L. Minkin, D. A. Osipov, and Yu. A. Zhdanov,Dipolnye momenty v organicheskoi khimii [Dipole moments in organic chemistry], Khimia, Leningrad, 1967, 246 p. (in Russian).
Svoistva organicheskikh soedinenii [Properties of organic compounds], Edited by A. A. Potekhin, Khimia, Leningrad, 1984, 520 p. (in Russian).
Rukovodstvo po gasovoi khromatografii, Edited by E. Leibnitz, and H. G. Struppe, Mir, Moscow, 1988, 480 p. [Handbuch der Gaschromatographie, Edited by E. Leibnitz and H. G. Struppe, Akademische Verlagsgesellschaft Geest & Porting K.-G., Leipzig, 1984].
A. K. Buryak and D. P. Poshkus,Adsorbtsya i adsorbenty [Adsorption and adsorbents], Nauka, Moscow, 1987, 91 p. (in Russian).
N. S. Wulfson, V. G. Zaikin, and A. I. Mikaya,Massspectrometrya organicheskikh soedinenii [Mass spectrometry of organic compounds], Khimia, Moscow, 1975, 384 p. (in Russian).
E. Stenhagen, S. Abrahamson, and F. W. McLafferty,Registry of mass-spectral data, New York, 1974, 3358 p.
Author information
Authors and Affiliations
Additional information
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 623–626, March, 1996.
Rights and permissions
About this article
Cite this article
Baryak, A.K., Ul'yanov, A.V. Application of molecular statistical calculations to the prediction of chromatographic separation of isomeric difluorobiphenyls. Russ Chem Bull 45, 582–586 (1996). https://doi.org/10.1007/BF01435786
Received:
Revised:
Issue Date:
DOI: https://doi.org/10.1007/BF01435786