Syntheses, X‐ray crystal structures, and emission properties of protonated tripyridyltriazines and their ruthenium(II) complexes. (2nd October 2017)

• Record Type: Journal Article
• Authors: Yoshikawa, Naokazu; Yamazaki, Shoko; Kimura, Hiroko; Kanehisa, Nobuko; Inoue, Tsuyoshi; Takashima, Hiroshi
• Is Part Of: Journal of physical organic chemistry. Volume 31:Number 3(2018)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2017-10-02
• Subjects: DFT calculations -- emission -- ruthenium(II) complexes -- spin densities -- tripyridyltriazine; Chemistry, Physical organic -- Periodicals; 547.1
• DOI: 10.1002/poc.3777
• Languages: English
• ISSNs: 0894-3230

Abstract

Abstract: A series of metal‐free compounds, ie, planar triprotonated triazine, triazineH3 Cl(PF6 )2 (1 ), planar triprotonated triazineH3 Br(PF6 )2 (2 ), and nonplanar monoprotonated triazineHPF6 (3 ), were prepared. Abbreviations used are triazine = tri‐2‐pyridyltriazine. Ruthenium complexes [RuCl(bpy)(L)](PF6 ), [RuCl(bpy)(L)](PF6 )2, and [Ru(L)2 ](PF6 )2 were also prepared, where bpy is 2, 2′‐bipyridine and L's are triazine (4 ) and monoprotonated triazine (5 ), respectively. Ruthenium complexes [Ru(triazine)2 ](PF6 )2 (6 ) were also prepared and crystallized. The X‐ray crystal structures of the 3 compounds1, 2, and3 and the complex6 were determined. They were also characterized by electrospray ionization mass spectrometry, UV‐vis spectroscopy, and density functional theory calculations. Abstract : In4 and5, spin densities were analyzed to characterize the triplet states in those complexes. Both the complexes have 3 MLCT triplet states. In particular, that of4 is very stable, which leads to the high quantum yield ( Φ > 0.20) of the emission.