Noncovalent interactions as a tool for supramolecular self-assembly of metallopolymers
Julkaistu sarjassa
JYU dissertationsTekijät
Päivämäärä
2021Tekijänoikeudet
© The Author & University of Jyväskylä
This thesis shows the successful application of noncovalent interactions (NCIs) in crystal engineering. Various NCIs were applied to obtain 10 novel self-assembled metallopolymeric structures: [PtI2COD]· CHI3, [PtI2COD]· 0.5I2, [PtBr2COD]· 0.5I2, [PtCl2COD]· I2, [PtI2COD]· 1.5FIB, [PtBr2COD]· 2FIB, [PtCl2COD]· 2FIB, trans-[PdI2(CNXyl)2]· I2, trans-[PtI2(CNXyl)2]· I2, and KI· 1,1’-bis(pyridin-4-ylmethyl)-2,2’-biimidazole. Several polymer geometries such as 0D, 1D, 2D, and 3D were achieved by fine-tuning the NCIs within the structures. Dependence of the structural organization on the relative strength of the NCI was considered, as well as the impact of the cooperative effect of multiple NCIs. Single crystal X-ray diffraction was used to study NCIs in the solid-state structures experimentally. Modern computational techniques were used to further study the NCIs and their influence on the structure including analysis of electrostatic surface potential (ESP), NCIplot, quantum theory of atoms in molecules (QTAIM), and ESP/electron density (ED) minima analysis. This thesis is divided into 3 parts. The first part provides a brief introduction to crystal engineering, noncovalent interactions, and applications of crystal engineering to the synthesis of metallopolymers. The second part briefly explains the specific methods and techniques used to study NCI. The last part summarizes the contribution of the author’s work in the field of NCIs. This thesis shows the close relation of the dimensionality of a self-assembled metallopolymer with the strongest noncovalent interaction and that it is also influenced by the cooperativity effect of weaker interactions. Keywords: crystal engineering, noncovalent interactions, halogen bonding, bifurcated bonding, metal-involved noncovalent interactions, platinum(II) complex, palladium(II) complex, ESP, ELF, NCIplot, supramolecular metallopolymers.
Julkaisija
Jyväskylän yliopistoISBN
978-951-39-8630-8ISSN Hae Julkaisufoorumista
2489-9003Julkaisuun sisältyy osajulkaisuja
- Artikkeli I: Bulatova, Margarita; Ivanov, Daniil M.; Haukka, Matti (2021). Classics Meet Classics : Theoretical and Experimental Studies of Halogen Bonding in Adducts of Platinum(II) 1,5-Cyclooctadiene Halide Complexes with Diiodine, Iodoform, and 1,4-Diiodotetrafluorobenzene. Crystal Growth and Design, 21 (2), 974-987. DOI: 10.1021/acs.cgd.0c01314
- Artikkeli II: Bulatova M., Ivanov D., Rautiainen J. M., Kinzhalov M.A., Truong K.-N., Lahtinen M., and Haukka M. Uncommon I–I∙∙∙(I–M) Metal-involving Noncovalent Interaction Supported by Classical Halogen Bond in Palladium(II) and Platinum(II) Isocyanide Cocrystals. Submitted manuscript.
- Artikkeli III: Bulatova, M., Tatikonda, R., Hirva, P., Bulatov, E., Sievänen, E., & Haukka, M. (2018). Controlling the crystal growth of potassium iodide with a 1,1'-bis(pyridin-4-ylmethyl)-2,2'-biimidazole ligand (L) – formation of a linear [K4I4L4]n polymer with cubic [K4I4] core units. CrystEngComm, 20 (26), 3631-3633. DOI: 10.1039/c8ce00483h
Asiasanat
kompleksiyhdisteet organometalliyhdisteet polymeerit platina palladium halogeenit jodi supramolekulaarinen kemia kemialliset sidokset kidetiede crystal engineering noncovalent interactions halogen bonding bifurcated bonding metal-involved noncovalent interactions platinum(II) complex palladium(II) complex ESP ELF NCIplot supramolecular metallopolymers
Metadata
Näytä kaikki kuvailutiedotKokoelmat
- JYU Dissertations [748]
- Väitöskirjat [3427]
Lisenssi
Samankaltainen aineisto
Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.
-
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 ... -
Studies of Nature of Uncommon Bifurcated I–I···(I–M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals
Bulatova, Margarita; Ivanov, Daniil M.; Rautiainen, J. Mikko; Kinzhalov, Mikhail A.; Truong, Khai-Nghi; Lahtinen, Manu; Haukka, Matti (American Chemical Society (ACS), 2021)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 ... -
Definition of the chalcogen bond (IUPAC Recommendations 2019)
Aakeroy, Christer B.; Bryce, David L.; Desiraju, Gautam R.; Frontera, Antonio; Legon, Anthony C.; Nicotra, Francesco; Rissanen, Kari; Scheiner, Steve; Terraneo, Giancarlo; Metrangolo, Pierangelo; Resnati, Giuseppe (De Gruyter, 2019)This recommendation proposes a definition for the term “chalcogen bond”; it is recommended the term is used to designate the specific subset of inter- and intramolecular interactions formed by chalcogen atoms wherein the ... -
Definition of the pnictogen bond (IUPAC Recommendations 2023)
Resnati, Giuseppe; Bryce, David L.; Desiraju, Gautam R.; Frontera, Antonio; Krossing, Ingo; Legon, Anthony C.; Metrangolo, Pierangelo; Nicotra, Francesco; Rissanen, Kari; Scheiner, Steve; Terraneo, Giancarlo (De Gruyter, 2024)This recommendation proposes a definition for the term “pnictogen bond”; the term pnictogen bond designates a subset of the attractive interactions between an electrophilic region on a pnictogen atom in a molecular entity ... -
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] ...
Ellei toisin mainittu, julkisesti saatavilla olevia JYX-metatietoja (poislukien tiivistelmät) saa vapaasti uudelleenkäyttää CC0-lisenssillä.