Antinörodejeneratif 5-sübstitüe 2,4-tiyazolidindion Türevlerinin Kuantum Kimyasal İncelemesi

نویسندگان

چکیده

A series of 5-substituted 2,4-thiazolidinedione derivatives which exhibit different pharmacological properties such as anti-hyperglycemic, anticancer, antioxidant and anti-neurodegenerative has been quantum chemically investigated to clarify elucidated electronic geometrical features. B3LYP functional with three basis sets including 6-31G, 6-31G(d) 6-31G(d,p) was made use optimize the three-dimensional structures compounds. Mulliken charges, dipole moments, energies HOMO LUMO were also calculated same methods. The parameters compared experimental data analyze results set. According chemical calculation obtained, theoretical bond lengths angles show good compatibility data. Based on energy gap analysis, compound 24 found be most reactive one in under study.

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ژورنال

عنوان ژورنال: Erzincan University Journal of Science and Technology

سال: 2021

ISSN: ['1307-9085', '2149-4584']

DOI: https://doi.org/10.18185/erzifbed.856269