Solid State Phosphorescence Enhancement of PtII-Based Emitters via Combination of π-Hole(Isocyano Group)•••dz2[PtII] and I•••Cl Halogen-Bonding Interactions

被引：3

作者：

Katkova, Svetlana A. ^{[1
]}

Antonova, Elina V. ^{[1
]}

Cheranyova, Anna M. ^{[1
]}

Ivanov, Daniil M. ^{[1
]}

Kinzhalov, Mikhail A. ^{[1
]}

机构：

[1] St Petersburg State Univ, 7-9 Univ Emb, St Petersburg 199034, Russia

来源：

INORGANICS | 2023年 / 11卷 / 10期

关键词：

isocyanide ligands; pi-hole interactions; noncovalent interactions; halogen bonding; luminescence; platinum(II) complexes; CYCLOMETALATED PLATINUM(II) COMPLEXES; AGGREGATION-INDUCED PHOSPHORESCENCE; ACYCLIC DIAMINOCARBENE LIGANDS; INTERMOLECULAR INTERACTIONS; NONCOVALENT INTERACTIONS; PHOTOPHYSICAL PROPERTIES; IRIDIUM(III) COMPLEXES; ELECTRON LOCALIZATION; METAL-COMPLEXES; BASIS-SETS;

D O I：

10.3390/inorganics11100403

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The Pt-II isocyanide complex [Pt(ppy)Cl(CNC6H4-C equivalent to C-Ph)] (1, Hppy=2-phenylpyridine) was co-crystallized with 1,4-diiodotetrafluorobenzene (1,4-DITFB), yielding 1 center dot 1/2(1,4-DITFB) adduct. The I center dot center dot center dot Cl halogen-bonding and pi-pi-stacking interactions combined with the rare pi-hole(isocyano group)center dot center dot center dot d(z)(2)[Pt-II] interactions were identified via analysis of X-ray diffraction data of the co-crystals. These two types of structure-determining interactions supplemented each other, and the system of I center dot Cl and pi-hole(isocyano group)center dot center dot center dot d(z)(2)[Pt-II] contacts achieved a 1D extended ladder-type architecture. The density functional theory calculations, employing a set of computational tools, verified the role of I center dot Cl and pi-hole(isocyano group)center dot center dot center dot d(z)(2)[Pt-II] noncovalent bonds in the spectrum of noncovalent forces. The solid-state photophysical study revealed an amplification of luminescence intensity in the co-crystals, which is attributed to the suppression of the nonradiative relaxation pathways due to an increase in the rigidity of the chromophore center.

引用

页数：15