Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Coordination Chemistry called Synthetic, structural, and spectroscopic studies of mixed sandwich Ru(II) complexes involving η6-p-cymene with monodentate fluorine-containing phosphines or phosphites, Author is Lee, John P.; Hankins, Michael J.; Riner, Ashley D.; Albu, Titus V., which mentions a compound: 175136-62-6, SMILESS is FC(C1=CC(C(F)(F)F)=CC(P(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=C1)(F)F, Molecular C24H9F18P, Application of 175136-62-6.
Syntheses, structures, spectroscopy, and calculated structures for several Ru(II) complexes involving p-cymene and either fluorine-containing phosphines or phosphites are reported. The complexes are readily prepared by ligand substitution reactions from [{Ru(p-cymene)Cl2}2] to produce [Ru(p-cymene)(L)Cl2] {L = P(C6H4-p-F)3 (1), P(C6H4-p-CF3)3 (2), P(C6H3(m-CF3)2)3 (3), PPh3 (4), P(OCH2CF3)3 (5), P(OCH(CF3)2)3 (6), and P(OMe)3 (7)}. The structures for all seven complexes are supported by UV-vis and multi-nuclear NMR spectroscopy. Five complexes are characterized by single-crystal x-ray crystallog. (1, 3, 5-7) and exhibit a distorted octahedral structure involving three donors from one phosphine or phosphite ligand, two chlorides, and the facially coordinating η6-p-cymene ligand. Electronic structure theory computations have been performed on 1-7 along with the theor. [Ru(p-cymene){P(C6F5)3}Cl2] (8). For all complexes, the HOMO is primarily Ru (dxy or dx2-y2) in character. The LUMO shifts from primarily Ru (dxz or dyz) to primarily phosphine ligand π* as the number of fluorines increases.
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