Studies of Nature of Uncommon Bifurcated I–I···(I–M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals
Bulatova, M., Ivanov, D. M., Rautiainen, J. M., Kinzhalov, M. A., Truong, K.-N., Lahtinen, M., & Haukka, M. (2021). Studies of Nature of Uncommon Bifurcated I–I···(I–M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals. Inorganic Chemistry, 60(17), 13200-13211. https://doi.org/10.1021/acs.inorgchem.1c01591
Julkaistu sarjassa
Inorganic ChemistryTekijät
Päivämäärä
2021Oppiaine
Epäorgaaninen ja analyyttinen kemiaOrgaaninen kemiaResurssiviisausyhteisöEpäorgaaninen kemiaInorganic and Analytical ChemistryOrganic ChemistrySchool of Resource WisdomInorganic ChemistryTekijänoikeudet
© 2021 The Authors. Published by American Chemical Society
Two isostructural trans-[MI2(CNXyl)2]·I2 (M = Pd or Pt; CNXyl = 2,6-dimethylphenyl isocyanide) metallopolymeric cocrystals containing uncommon bifurcated iodine···(metal–iodide) contact were obtained. In addition to classical halogen bonding, single-crystal X-ray diffraction analysis revealed a rare type of metal-involved stabilizing contact in both cocrystals. The nature of the noncovalent contact was studied computationally (via DFT, electrostatic surface potential, electron localization function, quantum theory of atoms in molecules, and noncovalent interactions plot methods). Studies confirmed that the I···I halogen bond is the strongest noncovalent interaction in the systems, followed by weaker I···M interaction. The electrophilic and nucleophilic nature of atoms participating in I···M interaction was studied with ED/ESP minima analysis. In trans-[PtI2(CNXyl)2]·I2 cocrystal, Pt atoms act as weak nucleophiles in I···Pt interaction. In the case of trans-[PdI2(CNXyl)2]·I2 cocrystal, electrophilic/nucleophilic roles of Pd and I are not clear, and thus the quasimetallophilic nature of the I···Pd interaction was suggested.
...
Julkaisija
American Chemical Society (ACS)ISSN Hae Julkaisufoorumista
0020-1669Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/99244542
Metadata
Näytä kaikki kuvailutiedotKokoelmat
Rahoittaja(t)
Suomen AkatemiaRahoitusohjelmat(t)
Akatemiahanke, SALisätietoja rahoituksesta
This work was supported by the Academy of Finland (project no. 295581). Part of the theoretical investigations (ELF and QTAIM analysis, ED/ESP minima analysis) were supported by the Russian Science Foundation (project no. 19−73−10016 for D.M.I.).Lisenssi
Samankaltainen aineisto
Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.
-
PtII versus PdII-assisted [2+3] cycloadditions of nitriles and nitrone. Synthesis of nitrile-derived arylamido platinum(II) and Δ4-1,2,4-oxadiazoline palladium(II) complexes
Lasri, Jamal; Eltayeb, Naser Eltaher; Haukka, Matti; Babgi, Bandar A. (Pergamon Press, 2019)The reactions of bis(organonitrile) platinum(II) complexes trans-[PtCl2(NCR)2] (R = C6H4(p-HCO), CH2C6H4(p-CH3)) with pyrroline N-oxide −O+NCHCH2CH2CMe2 afford arylamido platinum(II) complexes trans-[PtCl2{(OCR)NCCH2CH2CMe2NH}2] ... -
Noncovalent axial I∙∙∙Pt∙∙∙I interactions in platinum(II) complexes strengthen in the excited state
Bulatov, Evgeny; Eskelinen, Toni; Ivanov, Alexander Yu.; Tolstoy, Peter M.; Kalenius, Elina; Hirva, Pipsa; Haukka, Matti (Wiley, 2021)Coordination compounds of platinum(II) participate in various noncovalent axial interactions involving metal center. Weakly bound axial ligands can be electrophilic or nucleophilic; however, interactions with nucleophiles ... -
Supramolecular Assembly of Metal Complexes by (Aryl)I⋯dz2[PtII] Halogen Bond
Katlenok, Eugenе A.; Haukka, Matti; Levin, Oleg V.; Frontera, Antonio; Kukushkin, Vadim Yurievich (Wiley-VCH Verlag, 2020)The theoretical data for the half‐lantern complexes [Pt(C^N)(μ‐S^N)] 2 ( 1 – 3 ; С^N is cyclometalated 2‐Ph‐benzothiazole; S^N is 2‐SH‐pyridine 1 , 2‐SH‐benzoxazole 2 , 2‐SH‐tetrafluorobenzothiazole 3 ) indicate that the ... -
Non-conventional synthesis and photophysical studies of platinum(II) complexes with methylene bridged 2,2′-dipyridylamine derivatives
Bulatov, Evgeny; Haukka, Matti (Royal Society of Chemistry, 2019)Methylene bridged 2,2′-dipyridylamine (dpa) derivatives and their metal complexes possess outstanding properties due to their inherent structural flexibility. Synthesis of such complexes typically involves derivatization ... -
Synthesis and Solid-State X-ray Structure of the Mononuclear Palladium(II) Complex Based on 1,2,3-Triazole Ligand
Al-Rasheed, Hessa H.; Haukka, Matti; Soliman, Saied M.; Al-Majid, Abdullah Mohammed; Ali, M.; El-Faham, Ayman; Barakat, Assem (MDPI, 2022)Herein, we described the synthesis and X-ray crystal structure of the new [Pd(3)2Cl2] complex with 1,2,3-triazole-based ligand (3). In the unit cell, there are two [Pd(3)2Cl2] molecules, and the asymmetric unit comprised ...
Ellei toisin mainittu, julkisesti saatavilla olevia JYX-metatietoja (poislukien tiivistelmät) saa vapaasti uudelleenkäyttää CC0-lisenssillä.