TY - JOUR

T1 - Recent Progress in the Theoretical Studies of the Noncovalent Interactions of Supramolecular Complexes with Polyhalides and Halometalates

AU - Novikov, A.S.

N1 - Export Date: 11 March 2024 Адрес для корреспонденции: Novikov, A.S.; Institute of Chemistry, Universitetskaya Nab., 7/9, Russian Federation; эл. почта: a.s.novikov@spbu.ru Пристатейные ссылки: Usoltsev, A.N., Adonin, S.A., Novikov, A.S., Samsonenko, D.G., Sokolov, M.N., Fedin, V.P., One-dimensional polymeric polybromotellurates (IV): Structural and theoretical insights into halogen···halogen contacts (2017) CrystEngComm, 19, pp. 5940-5945; Adonin, S.A., Gorokh, I.D., Novikov, A.S., Abramov, P.A., Sokolov, M.N., Fedin, V.P., Halogen contacts-induced unusual coloring in Bi(III) bromide complex: Anion-to-cation charge transfer via Br···Br interactions (2017) Chem. Eur. J, 23, pp. 15612-15616. , 28940361; Adonin, S.A., Gorokh, I.D., Abramov, P.A., Novikov, A.S., Korolkov, I.V., Sokolov, M.N., Fedin, V.P., Chlorobismuthates trapping dibromine: Formation of two-dimensional supramolecular polyhalide networks with Br2 linkers (2017) Eur. J. Inorg. Chem, 2017, pp. 4925-4929; Adonin, S.A., Gorokh, I.D., Novikov, A.S., Samsonenko, D.G., Korolkov, I.V., Sokolov, M.N., Fedin, V.P., Bromobismuthates: Cation-induced structural diversity and Hirshfeld surface analysis of cation-anion contacts (2018) Polyhedron, 139, pp. 282-288; Adonin, S.A., Gorokh, I.D., Novikov, A.S., Samsonenko, D.G., Plyusnin, P.E., Sokolov, M.N., Fedin, V.P., Bromine-rich complexes of bismuth: Experimental and theoretical studies (2018) Dalton Trans, 47, pp. 2683-2689; Adonin, S.A., Bondarenko, M.A., Abramov, P.A., Novikov, A.S., Plyusnin, P.E., Sokolov, M.N., Fedin, V.P., Bromo- and polybromoantimonates (V): Structural and theoretical studies of hybrid halogen-rich halometalate frameworks (2018) Chem. Eur. J, 24, pp. 10165-10170; Usoltsev, A.N., Adonin, S.A., Abramov, P.A., Novikov, A.S., Shayapov, V.R., Plyusnin, P.E., Korolkov, I.V., Fedin, V.P., 1D and 2D polybromotellurates (IV): Structural studies and thermal stability (2018) Eur. J. Inorg. Chem, 2018, pp. 3264-3269; Adonin, S.A., Udalova, L.I., Abramov, P.A., Novikov, A.S., Yushina, I.V., Korolkov, I.V., Semitut, E.Y., Troshin, P.A., A novel family of polyiodo-bromoantimonate(III) complexes: Cation-driven self-assembly of photoconductive metal-polyhalide frameworks (2018) Chem. Eur. J, 24, pp. 14707-14711; Gorokh, I.D., Adonin, S.A., Abramov, P.A., Novikov, A.S., Sokolov, M.N., Fedin, V.P., New structural type in polybromide-bromometalate hybrids: (Me3NH)3{[Bi2Br9](Br2)}–crystal structure and theoretical studies of non-covalent Br···Br interactions. Inorg (2018) Chem. Commun, 98, pp. 169-173; Adonin, S.A., Gorokh, I.D., Novikov, A.S., Samsonenko, D.G., Yushina, I.V., Sokolov, M.N., Fedin, V.P., Halobismuthates with halopyridinium cations: Appearance or non-appearance of unusual colouring (2018) CrystEngComm, 20, pp. 7766-7772; Gorokh, I.D., Adonin, S.A., Novikov, A.S., Sokolov, M.N., Samsonenko, D.G., Fedin, V.P., Polybromides of pyridinium and quinolinium-type cations: Cation-induced structural diversity and theoretical analysis of Br···Br interactions (2019) J. Mol. Struct, 1179, pp. 725-731; Adonin, S.A., Gorokh, I.D., Samsonenko, D.G., Novikov, A.S., Korolkov, I.V., Plyusnin, P.E., Sokolov, M.N., Fedin, V.P., Binuclear and polymeric bromobismuthate complexes: Crystal structures and thermal stability (2019) Polyhedron, 159, pp. 318-322; Adonin, S.A., Bondarenko, M.A., Novikov, A.S., Abramov, P.A., Plyusnin, P.E., Sokolov, M.N., Fedin, V.P., Halogen bonding-assisted assembly of bromoantimonate(V) and polybromide-bromoantimonate-based frameworks (2019) CrystEngComm, 21, pp. 850-856; Gorokh, I.D., Adonin, S.A., Novikov, A.S., Usoltsev, A.N., Plyusnin, P.E., Korolkov, I.V., Sokolov, M.N., Fedin, V.P., Halobismuthates with 3-iodopyridinium cations: Halogen bonding-assisted crystal packing (2019) Polyhedron, 166, pp. 137-140; Usoltsev, A.N., Adonin, S.A., Novikov, A.S., Sokolov, M.N., Fedin, V.P., Halogen bonding-assisted formation of one-dimensional polybromide-bromotellurate (2-ClPyH)2{[TeBr6](Br2)} (2019) J. Coord. Chem, 72, pp. 1890-1898; Adonin, S.A., Bondarenko, M.A., Novikov, A.S., Abramov, P.A., Plyusnin, P.E., Sokolov, M.N., Fedin, V.P., Antimony(V) bromide and polybromide complexes with N-alkylated quinolinium or isoquinolinium cations: Substituent-dependent assembly of polymeric frameworks (2019) Z. Anorg. Allg. Chem, 645, pp. 1141-1145; Adonin, S.A., Bondarenko, M.A., Novikov, A.S., Plyusnin, P.E., Korolkov, I.V., Sokolov, M.N., Fedin, V.P., Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen···halogen contacts in solid state (2020) Inorg. Chim. Acta, 502, p. 119278; Adonin, S.A., Usoltsev, A.N., Novikov, A.S., Kolesov, B.A., Fedin, V.P., Sokolov, M.N., One- and two-dimensional iodine-rich iodobismuthate(III) complexes: Structure, optical properties and features of halogen bonding in the solid state (2020) Inorg. Chem, 59, pp. 3290-3296; Usoltsev, A.N., Adonin, S.A., Novikov, A.S., Abramov, P.A., Sokolov, M.N., Fedin, V.P., Chlorotellurate(IV) supramolecular associates with “trapped” Br2: Features of non-covalent halogen···halogen interactions in crystalline phases (2020) CrystEngComm, 22, pp. 1985-1990; Usoltsev, A.N., Adonin, S.A., Kolesov, B.A., Novikov, A.S., Fedin, V.P., Sokolov, M.N., Opening the third century of polyhalide chemistry: Thermally stable complex with “trapped” dichlorine (2020) Chem. Eur. J, 26, pp. 13776-13778; Usoltsev, A.N., Korobeynikov, N.A., Novikov, A.S., Plyusnin, P.E., Fedin, V.P., Sokolov, M.N., Adonin, S.A., Hybrid chlorobismuthate(III) “trapping” Br2 unit: Crystal structure and theoretical investigation of non-covalent Cl···Br interactions in (1-MePy)3{[Bi2Cl9](Br2)} (2020) Inorg. Chim. Acta, 513, p. 119932; Bondarenko, M.A., Novikov, A.S., Fedin, V.P., Sokolov, M.N., Adonin, S.A., The stabilization of decabromide {Br10}2− anion in the structure of Sb(V) bromide complex (2020) J. Coord. Chem, 73, pp. 3038-3043; Usoltsev, A.N., Korobeynikov, N.A., Novikov, A.S., Plyusnin, P.E., Kolesov, B.A., Fedin, V.P., Sokolov, M.N., Adonin, S.A., One-dimensional diiodine–iodobismuthate(III) hybrids cat3{[Bi2I9](I2)3}: Syntheses, stability, and optical properties (2020) Inorg. Chem, 59, pp. 17320-17325. , 33202124; Usoltsev, A.N., Korobeynikov, N.A., Novikov, A.S., Shayapov, V.R., Korolkov, I.V., Samsonenko, D.G., Fedin, V.P., Adonin, S.A., One-dimensional supramolecular hybrid iodobismuthate(1-EtPy)3{[Bi2I9](I2)0.75}: Structural features and theoretical studies of I···I non-covalent interactions (2021) J. Clust. Sci, 32, pp. 787-791; Usoltsev, A.N., Sukhikh, T.S., Novikov, A.S., Shayapov, V.R., Pishchur, D.P., Korolkov, I.V., Sakhapov, I.F., Adonin, S.A., Unexpected polymorphism in bromoantimonate(III) complexes and its effect on optical properties (2021) Inorg. Chem, 60, pp. 2797-2804; Usoltsev, A.N., Korobeynikov, N.A., Kolesov, B.A., Novikov, A.S., Samsonenko, D.G., Fedin, V.P., Sokolov, M.N., Adonin, S.A., Rule, not exclusion: Formation of dichlorine-containing supramolecular complexes with chlorometalates(IV) (2021) Inorg. Chem, 60, pp. 4171-4177; Korobeynikov, N.A., Usoltsev, A.N., Sukhikh, T.S., Novikov, A.S., Korolkov, I.V., Fedin, V.P., Sokolov, M.N., Adonin, S.A., Halogen-rich halorhenates(IV): (Me4N)2{[ReX6](X2)} (X = Cl, Br) (2022) Polyhedron, 221, p. 115876; Korobeynikov, N.A., Usoltsev, A.N., Abramov, P.A., Novikov, A.S., Sokolov, M.N., Adonin, S.A., Bromine-rich tin(IV) halide complexes: Experimental and theoretical examination of Br···Br noncovalent interactions in crystalline state (2022) Polyhedron, 222, p. 115912; Bondarenko, M.A., Abramov, P.A., Novikov, A.S., Sokolov, M.N., Adonin, S.A., Cu(II) pentaiodobenzoate complexes: “super heavy carboxylates” featuring strong halogen bonding (2022) Polyhedron, 214, p. 115644; Bondarenko, M.A., Novikov, A.S., Sukhikh, T.S., Korolkov, I.V., Sokolov, M.N., Adonin, S.A., Mono- and binuclear Cu(II) 3,5-diiodosalicylates: Structures and features of non-covalent interactions in crystalline state (2021) J. Mol. Struct, 1244, p. 130942; Vershinin, M.A., Rakhmanova, M.I., Novikov, A.S., Sokolov, M.N., Adonin, S.A., Zn(II) heteroleptic halide complexes with 2-halopyridines: Features of halogen bonding in solid state (2021) Molecules, 26; Bondarenko, M.A., Novikov, A.S., Korolkov, I.V., Sokolov, M.N., Adonin, S.A., Cu(II) 2-iodobenzoates: Precursor-dependent formation of paddlewheel-like [Cu2(OOCR)4L2] or [Cu2L4(OOCR)2Cl2] binuclear complexes (2021) Inorg. Chim. Acta, 524, p. 120436; Usoltsev, A.N., Korobeynikov, N.A., Kolesov, B.A., Novikov, A.S., Abramov, P.A., Sokolov, M.N., Adonin, S.A., Oxochloroselenate(IV) with incorporated {Cl2}: The case of strong Cl···Cl halogen bonding (2021) Chem. Eur. J, 27, p. 9292. , 33885201; Bondarenko, M.A., Abramov, P.A., Plyusnin, P.E., Novikov, A.S., Sokolov, M.N., Adonin, S.A., Bromoantimonates with bis(pyridinium)-type dications obtained via oxidation by dibromine: Diverse structural types and features of interactions pattern (2021) Polyhedron, 202, p. 115217; Novikov, A.S., IsoStar program suite for studies of noncovalent interactions in crystals of chemical compounds (2021) Crystals, 11; Malyshkina, M.V., Novikov, A.S., Modern software for computer modeling in quantum chemistry and molecular dynamics (2021) Compounds, 1, pp. 134-144; Groh, M.F., Wolff, A., Grasser, M.A., Ruck, M., Controlled synthesis of polyions of heavy main-group elements in ionic liquids (2016) Int. J. Mol. Sci, 17. , 27598123; Aragoni, M.C., Cherchi, M.F., Lippolis, V., Pintus, A., Podda, E., Slawin, A.M.Z., Woollins, J.D., Arca, M., Self-assembly of supramolecular architectures driven by σ-hole interactions: A halogen-bonded 2D network based on a diiminedibromido gold(III) complex and tribromide building blocks (2022) Molecules, 27. , 36234826; Edis, Z., Bloukh, S.H., Antimicrobial V-shaped copper(II) pentaiodide: Insights to bonding pattern and susceptibility (2022) Molecules, 27; Savastano, M., Monini, V., Bazzicalupi, C., Bianchi, A., Bidimensional polyiodide netting stabilized by a Cu(II) macrocyclic complex (2022) Inorganics, 10; Zhuang, X., Wu, Q., Huang, X., Li, H., Lin, T., Gao, Y., A three-component hybrid templated by asymmetric viologen exhibiting visible-light-driven photocatalytic degradation on dye pollutant in maritime accident seawater (2021) Catalysts, 11; Shestimerova, T.A., Mironov, A.V., Bykov, M.A., Grigorieva, A.V., Wei, Z., Dikarev, E.V., Shevelkov, A.V., Assembling polyiodides and iodobismuthates using a template effect of a cyclic diammonium cation and formation of a low-gap hybrid iodobismuthate with high thermal stability (2020) Molecules, 25. , 32549353

PY - 2023

Y1 - 2023

N2 - Despite the fact that first polyhalides and halometalates have been discovered decades ago, this subject of chemical science has been progressing, and many supramolecular associates with these compounds exhibiting promising properties were reported. In this mini-review, I would like to highlight recent progress in theoretical studies of noncovalent interactions in supramolecular complexes with polyhalides and halometalates from our research group. © 2022 by the author.

AB - Despite the fact that first polyhalides and halometalates have been discovered decades ago, this subject of chemical science has been progressing, and many supramolecular associates with these compounds exhibiting promising properties were reported. In this mini-review, I would like to highlight recent progress in theoretical studies of noncovalent interactions in supramolecular complexes with polyhalides and halometalates from our research group. © 2022 by the author.

KW - halometalates

KW - noncovalent interactions

KW - polyhalides

KW - supramolecular associates

KW - theoretical studies

UR - https://www.mendeley.com/catalogue/f4ba11a5-91de-3d5b-bf07-7b2132b8036c/

U2 - 10.3390/compounds3010003

DO - 10.3390/compounds3010003

M3 - статья

VL - 3

SP - 27

EP - 36

JO - Compounds

JF - Compounds

SN - 2673-6918

IS - 1

ER -