A COMPUTATIONAL STUDY ON SOME SELENIUM-CONTAINING NAPHTHALENE DERIVATIVES

2009-01-01
Türker, Burhan Lemi
A quantum chemical study, based on DFT theory is presented which considers certain selenium-containing naphthalene derivatives, including a keto group together with a Se atom embedded in either a five- or six-membered ring fused with naphthalene moiety. The corresponding enol structures also are considered. The quantum chemical and IR data collected are analyzed and NICS(0) values have been obtained.
POLYCYCLIC AROMATIC COMPOUNDS

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Citation Formats
B. L. Türker, “A COMPUTATIONAL STUDY ON SOME SELENIUM-CONTAINING NAPHTHALENE DERIVATIVES,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 315–332, 2009, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56836.