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- Title
INVESTIGATION OF STRUCTURAL AND REACTIVITY PROPERTIES OF SOME HALOGENATED PIPERAZINES.
- Authors
DEMİRCİOĞLU OVEZOV, Fulden; PARLAK, Cemal; ALVER, Özgür
- Abstract
The chemical and biological activities are strongly related to the molecular structures and the media to which the molecules were subjected. Therefore, it is crucial to know the behaviors of molecular systems in the examined solvent media and their structural and reactivity properties. In the framework of this study, molecular and reactivity properties of some halogenated piperazine derivatives were undertaken by using the density functional theory. It was observed that halogen atoms have considerable effects on the behavior of piperazine molecule. Further, the atypical characteristic of fluorine affecting conformational preference is observed for di-halogenated piperazines with the same halogen atoms.
- Subjects
PIPERAZINE; MOLECULAR structure; DENSITY functional theory; FLUORINE; HALOGENS
- Publication
Eskişehir Technical University Journal of Science & Technology B - Theoretical Sciences, 2024, Vol 12, Issue 1, p1
- ISSN
2667-419X
- Publication type
Article
- DOI
10.20290/estubtdb.1315254