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JOURNALS // Fizika Tverdogo Tela // Archive

Fizika Tverdogo Tela, 2023 Volume 65, Issue 12, Pages 2092–2095 (Mi ftt10885)

International Conference PhysicA.SPb/2023

Analysis of the molecular structure and the terminal groups packing of n-alkanes of different parities

S. A. Gur'eva, A. K. Borisov, V. A. Marikhin

Ioffe Institute, St. Petersburg, Russia

Abstract: A scheme of the contact region structure of the terminal methyl groups of molecules of neighboring lamellae in n-alkanes of different parities is proposed. The penetration depth of the lamellae into each other was calculated depending on the orthorhombic or triclinic symmetries of the molecular arrangement in the lamella crystalline cores. A greater depth of van der Waals contact between the terminal groups in even n-alkanes than in odd ones was revealed, which indicates a denser packing of molecules with triclinic symmetry compared to orthorhombic.

Keywords: n-alkanes, molecular structure, unit cells, lamellae.

Received: 11.05.2023
Revised: 17.08.2023
Accepted: 30.10.2023

DOI: 10.61011/FTT.2023.12.56730.5041k



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