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200 1 _aPolymorph-Dependent Phosphorescence of Cyclometalated Platinum(II) Complexes and Its Relation to Non-covalent Interactions
_fE. V. Sokolova, M. A. Kinzhalov, A. S. Smirnov [et al.]
203 _aText
_celectronic
300 _aTitle screen
320 _a[References: 76 tit.]
330 _aCyclometalated platinum(II) complexes [Pt(ppy)Cl(CNAr)] (ppy = 2-phenylpyridinato-C2,N; Ar = C6H4-2-I 1, C6H4-4-I 2, C6H3-2-F-4-I 3, and C6H3-2,4-I24) bearing ancillary isocyanide ligands were obtained by the bridge-splitting reaction between the dimer [Pt(ppy)(μ-Cl)]2 and 2 equiv any one of the corresponding CNAr. Complex 2 was crystallized in two polymorphic forms, namely, 2I and 2II, exhibiting green (emission quantum yield of 0.5%) and orange (emission quantum yield of 12%) phosphorescence, respectively. Structure-directing non-covalent contacts in these polymorphs were verified by a combination of experimental (X-ray diffraction) and theoretical methods (NCIplot analysis, combined electron localization function (ELF), and Bader quantum theory of atoms in molecules (QTAIM analysis)). A noticeable difference in the spectrum of non-covalent interactions of 2I and 2II is seen in the Pt···Pt interactions in 2II and absence of these metallophilic contacts in 2I. The other solid luminophores, namely, 1, 3I-II, 4, and 4·CHCl3, exhibit green luminescence; their structures include intermolecular C-I···Cl-Pt halogen bonds as the structure-directing interactions. Crystals of 1, 2I, 3I, 3II, 4, and 4·CHCl3 demonstrated a reversible mechanochromic color change achieved by mechanical grinding (green to orange) and solvent adsorption (orange to green).
333 _aРежим доступа: по договору с организацией-держателем ресурса
461 _tACS Omega
463 _tVol. 7, iss. 38
_v[P. 34454-34462]
_d2022
610 1 _aэлектронный ресурс
610 1 _aтруды учёных ТПУ
701 1 _aSokolova
_bE. V.
_gElina Vadimovna
701 1 _aKinzhalov
_bM. A.
_cchemist
_cSenior Researcher, Tomsk Polytechnic University, Candidate of Chemical Sciences
_f1987-
_gMikhail Andreevich
_2stltpush
_3(RuTPU)RU\TPU\pers\47623
701 1 _aSmirnov
_bA. S.
_gAndrey Sergeevich
701 1 _aCheranyova
_bA. M.
_gAnna Mikhaylovna
701 1 _aIvanov
_bD. M.
_cChemist
_cSenior researcher of Tomsk Polytechnic University, Candidate of chemical sciences
_f1992-
_gDaniil Mikhaylovich
_2stltpush
_3(RuTPU)RU\TPU\pers\47038
701 1 _aKukushkin
_bV. Yu.
_gVadim Yurjevich
701 1 _aBokach
_bN. A.
_cChemist
_cLeading researcher of Tomsk Polytechnic University, Doctor of chemical sciences
_f1976-
_gNadezhda Arsenjevna
_2stltpush
_3(RuTPU)RU\TPU\pers\47040
712 0 2 _aНациональный исследовательский Томский политехнический университет
_bИсследовательская школа химических и биомедицинских технологий
_bМеждународная научно-исследовательская лаборатория "Невалентные взаимодействия в химии материалов"
_h8903
_2stltpush
_3(RuTPU)RU\TPU\col\27854
801 2 _aRU
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856 4 _uhttps://doi.org/10.1021/acsomega.2c04110
942 _cCF