Browsing by Author "Ucun, Fatih"

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Aromatization of triafulvene and its exocyclic Si, Ge, and Sn derivations by complexation with halogen atoms

Tokatlı, Ahmet; Ucun, Fatih; Oturak, Halil; Tunç, Fatmagül (Taylor & Francis Inc, 2017)

The geometries of triafulvene (TF) and its exocyclic Si, Ge, and Sn analogues complexes with F, Cl, Br, and I halogen atoms (TF(X)Y, XC, Si, Ge, and Sn; YF, Cl, Br, and I) were studied. The complexes were optimized at ...
Effect of external electric field on C-X ··· π halogen bonds

Tokatlı, Ahmet; Fatmagül, Tunç; Ucun, Fatih (Springer, 2019)

In this study, ab initio calculations (RI-MP2(full)/aug-cc-pVDZ) are performed to investigate the effect of an external electric field (EEF) on the nature, properties, and structures of C–X ··· π halogen bonds in CF3Br ...