Katkova, Svetlana A.; Mikherdov, Alexander S.; Sokolova, Elina V.; Novikov, Alexander S.; Starova, Galina L.; Kinzhalov, Mikhail A. published the artcile< Intermolecular (Isocyano group)···PtII interactions involving coordinated isocyanides in cyclometalated PtII complexes>, Application of C6H4BrClFN, the main research area is platinum isocyanide cyclometalated complex preparation crystal structure DFT luminescence.
A series of platinum(II) isocyanide complexes [Pt(ppy)Cl(CNR)] (ppy = 2-phenylpyridinato-C2,N; R = Mes 1, C6H2-2,6-Me2-4-Br 2, C6H2-2-F-3-Cl-4-Br 3, naphthalen-2-yl 4) were prepared and characterized by high resolution ESI-MS, 1D and 2D NMR, IR, UV-visible absorption, and photoluminescence spectroscopies, as well as single-crystal x-ray diffraction. Anal. of x-ray diffraction data allowed the authors to identify (isocyano group)···PtII interactions where the nitrogen atom of the isocyano group acts as a π-hole donor toward a d2z-orbital of PtII. The presence of these noncovalent interactions was confirmed by DFT calculations followed by NCI anal. and topol. anal. of the electron d. distribution within the framework of Bader’s theory (QTAIM method). Processing of CSD data allowed verification of the contacts between coordinated isocyano moieties and various d9 and d8- metal-centers (AuI, AuIII, AgI, PtII, PdII, NiII, RhI) to be performed.
Journal of Molecular Structure published new progress about Crystal structure. 115843-99-7 belongs to class bromides-buliding-blocks, and the molecular formula is C6H4BrClFN, Application of C6H4BrClFN.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary