Руководители направления: Владимир Сизов, Анастасия Сизова
Методами DFT и TDDFT исследуются строение и электронная структура люминесцентных комплексов d- и f-элементов, устанавливается природа электронных переходов и предлагается интерпретация экспериментально наблюдаемых фотофизических характеристик.
Работа проводится в коллаборации с группой люминесцентных комплексов (руководитель: проф. Е.В.Грачева) при поддержке гранта Российского Научного Фонда.
Публикации по теме:
- A.Yu.Gitlina, V.Khistiaeva, A.S.Melnikov, M.Ivonina, V.Sizov, D.V.Spiridonova, A.Makarova, D.V.Vyalikh, E.V.Grachova. Organometallic Ir(III) complexes: post-synthetic modification, photophysical properties and binuclear complex construction. Dalton Transactions, 2023, Vol.52, 8986-8997.
- S.Petrovskii, A.Petrovskaia, A.Sizova, V.Sizov, E.Grachova. Homoleptic alkynylpyridinium Au(I) complexes as organometallic ‘D-π-A’ chromophores. ChemPlusChem, 2023, Vol.88(7), e202300155.
- S.Petrovskii, A.Paderina, A.Sizova, E.Grachova. Homoleptic alkynylphosphonium Au(I) complexes as push–pull phosphorescent emitters. Inorganic Chemistry, 2023, Vol.62(13), 5123-5133.
- S.Petrovskii, A.Senchukova, V.Sizov, A.V.Paderina, M.Luginin, E.Abramova, E.V.Grachova. Efficient photoswitchable organometallic complexes with azobenzene and stilbene units: the case of Au(I). Molecular Systems Design & Engineering, 2022, Vol. 7, 1249-1262.
- A.Paderina, A.Melnikov, S.Slavova, V.Sizov, V.Gurzhiy, S.Petrovskii, M.Luginin, O.Levin, I.Koshevoy, E.Grachova. The tail wags the dog: The far periphery of the coordination environment manipulates the photophysical properties of heteroleptic Cu(I) complexes. Molecules, 2022, Vol. 27(7), 2250.
- S.K.Petrovskii, V.V.Khistiaeva, A.A.Sizova, V.V.Sizov, A.V.Paderina, I.O.Koshevoy, K.Yu.Monakhov, E.V.Grachova. Hexavanadate-Organogold(I) Hybrid Compounds: Synthesis by the Azide-Alkyne Cycloaddition and DFT Study of Intriguing Electron Density Distribution. Inorg.Chem., 2020, Vol. 59, 16122-16126.
- S.K.Petrovskii, A.V.Paderina, A.A.Sizova, A.Yu.Baranov, A.A.Artem’ev, V.V.Sizov, E.V.Grachova. Luminescent behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes. Dalton Trans., 2020, Vol. 49, 13430-13439.
- A.Yu.Gitlina, A.Surkova, M.V.Ivonina, V.V.Sizov, S.K.Petrovskii, A.Legin, G.L.Starova, I.O.Koshevoy, E.V.Grachova, D.O.Kirsanov. Cyclometalated Ir(III) complexes as tuneable multiband light sources for optical multisensor systems: feasibility study. Dyes & Pigments, 2020, 108428.
- A.Belyaev, S.O.Slavova, I.V.Solovyev, V.V.Sizov, J.Jänis, E.V.Grachova, I.O.Koshevoy. Solvatochromic dual luminescence of Eu–Au dyads decorated with chromophore phosphines. Inorg.Chem.Frontiers, 2020, Vol. 7, pp. 140-149.
- I.D.Strelnik, V.V.Sizov, V.V.Gurzhiy, A.S.Melnikov, I.E.Kolesnikov, E.I.Musina, A.A.Karasik, E.V.Grachova. Binuclear gold(I) phosphine alkynyl complexes templated on a flexible cyclic phosphine ligand: Synthesis and some features of solid-state luminescence. Inorg.Chem., 2020, Vol. 59(1), p. 244-253.
- V.Khistiaeva, A.S.Melnikov, S.Slavova, V.Sizov, G.L.Starova, I.O.Koshevoy, E.V.Grachova. Heteroleptic β-diketonate Ln(III) complexes decorated by pyridyl substituted pyridazine ligand: synthesis, structure and luminescent properties. Inorg.Chem.Frontiers, 2018, Vol. 5(12), pp. 3015-3027.
- A.Yu.Gitlina, M.V.Ivonina, V.V.Sizov, G.L.Starova, A.P.Pushkarev, D.Volyniuk, S.P.Tunik, I.O.Koshevoy, E.V.Grachova. The rare example of compact heteroleptic cyclometalated iridium(III) complexes demonstrating well-separated dual emission. Dalton Trans., 2018, Vol. 47, pp. 7578-7586.
- D.D.Zhukovsky, V.V.Sizov, G.L.Starova, S.P.Tunik, E.V.Grachova. Binuclear luminescent Pt(II) complexes based on substituted 3,6-diphenylpyridazines; synthesis and photophysical study. J.Organomet.Chem., 2018, Vol. 867, pp. 367-374.
- A.A.Penney, G.L.Starova, E.V.Grachova, V.V.Sizov, M.A.Kinzhalov, S.P.Tunik. Gold(I) alkynyls supported by mono- and bidentate NHC ligands: Luminescence and isolation of unprecedented ionic complexes. Inorg.Chem., 2017, Vol. 56 (24), pp. 14771-14787.
- J.R.Shakirova, O.A.Tomashenko, E.V.Grachova, G.L.Starova, V.V.Sizov, A.F.Khlebnikov, S.P.Tunik. Gold(I)-alkynyl complexes with a new type N-donor heterocyclic ligand: Synthesis and photophysical properties. Eur.J.Inorg.Chem., 2017, Vol. 2017(36), p. 4180-4186.
- J.R.Shakirova, E.V.Grachova, V.V.Sizov, G.L.Starova, I.O.Koshevoy, A.S.Melnikov, M.C.Gimeno, A.Laguna, S.P.Tunik. Polynuclear cage-like Au(I) phosphane complexes based on S2- template; observation of multiple luminescence in coordinated polyaromatic systems. Dalton Trans., 2017, V.46, 2516-2523.
- A.I.Solomatina, P.S.Chelushkin, D.V.Krupenya, I.S.Podkorytov, T.O.Artamonova, V.V.Sizov, A.S.Melnikov, V.V.Gurzhiy, E.I.Koshel, V.Shcheslavskiy, S.P.Tunik. Coordination to imidazole ring switches on phosphorescence of platinum cyclometalated complexes: The route to selective labeling of peptides and proteins via histidine residues. Bioconjugate Chem., 2017, V.28(2), 426-437.
- I.D.Strelnik, V.V.Gurzhiy, V.Sizov, E.I.Musina, A.A.Karasik, S.P.Tunik, E.V.Grachova. A stimuli-responsive Au(I) complex based on aminomethylphosphine template: synthesis, crystalline phases and luminescent properties. CrystEngComm, 2016, V. 18, p. 7629-7635.
- A.A.Penney, D.V.Krupenya, E.V.Grachova, V.V.Sizov, V.V.Gurzhiy, G.L.Starova, S.P.Tunik. Aurophilicity in action: Fine-tuning the gold(I)-gold(I) distance in the excited state to modulate the emission in a series of dinuclear homoleptic gold(I)-NHC complexes. Inorg.Chem., 2016, V. 55(10), p. 4720-4732.
- K.S.Kisel, G.Linti, G.L.Starova, V.V.Sizov, A.S.Melnikov, A.P.Pushkarev, M.N.Bochkarev, E.V.Grachova, S.P.Tunik. Synthesis, structure and photophysical properties of Eu and Lu diketonates with neutral polydentate imidazolyl-methanamine ligand. Eur.J.Inorg.Chem., 2015, Vol. 2015(10), p. 1734-1743.