Supramolecular Assembly of Metal Complexes by (Aryl)I⋅⋅⋅dz2 [PtII] Halogen Bonds

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Supramolecular Assembly of Metal Complexes by (Aryl)I⋅⋅⋅d_z2 [Pt^II] Halogen Bonds. / Katlenok, Eugene A.; Haukka, Matti; Levin, Oleg V.; Frontera, Antonio; Kukushkin, Vadim Yu.

In: Chemistry - A European Journal, Vol. 26, No. 34, 18.06.2020, p. 7692-7701.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{9dfda397addd4f459a9f3a362d3fa6c4,

title = "Supramolecular Assembly of Metal Complexes by (Aryl)I⋅⋅⋅dz2 [PtII] Halogen Bonds",

abstract = "The theoretical data for the half-lantern complexes [{Pt((Formula presented.))(μ- (Formula presented.))}2] [1–3; (Formula presented.) is cyclometalated 2-Ph-benzothiazole; (Formula presented.) is 2-SH-pyridine (1), 2-SH-benzoxazole (2), 2-SH-tetrafluorobenzothiazole (3)] indicate that the Pt⋅⋅⋅Pt orbital interaction increases the nucleophilicity of the outer d (Formula presented.) orbitals to provide assembly with electrophilic species. Complexes 1–3 were co-crystallized with bifunctional halogen bonding (XB) donors to give adducts (1–3)2⋅(1,4-diiodotetrafluorobenzene) and infinite polymeric [1⋅1,1′-diiodoperfluorodiphenyl]n. X-ray crystallography revealed that the supramolecular assembly is achieved through (Aryl)I⋅⋅⋅d (Formula presented.) [PtII] XBs between iodine σ-holes and lone pairs of the positively charged (PtII)2 centers acting as nucleophilic sites. The polymer includes a curved linear chain ⋅⋅⋅Pt2⋅⋅⋅I(areneF)I⋅⋅⋅Pt2⋅⋅⋅ involving XB between iodine atoms of the perfluoroarene linkers and (PtII)2 moieties. The 195Pt NMR, UV/Vis, and CV studies indicate that XB is preserved in CH(D)2Cl2 solutions.",

keywords = "density functional calculations, halogen bonding, noncovalent interactions, platinum, supramolecular chemistry, HYDROGEN-BOND, SIGMA-HOLE, PLATINUM, CRYSTAL-STRUCTURES, NONCOVALENT INTERACTIONS, OXIDATIVE ADDITION, QUANTITATIVE-ANALYSIS, BINUCLEAR COMPLEXES, CHALCOGEN BOND, INTERMOLECULAR INTERACTIONS",

author = "Katlenok, {Eugene A.} and Matti Haukka and Levin, {Oleg V.} and Antonio Frontera and Kukushkin, {Vadim Yu}",

year = "2020",

month = jun,

day = "18",

doi = "10.1002/chem.202001196",

language = "English",

volume = "26",

pages = "7692--7701",

journal = "Chemistry - A European Journal",

issn = "0947-6539",

publisher = "Wiley-Blackwell",

number = "34",

}

RIS

TY - JOUR

T1 - Supramolecular Assembly of Metal Complexes by (Aryl)I⋅⋅⋅dz2 [PtII] Halogen Bonds

AU - Katlenok, Eugene A.

AU - Haukka, Matti

AU - Levin, Oleg V.

AU - Frontera, Antonio

AU - Kukushkin, Vadim Yu

PY - 2020/6/18

Y1 - 2020/6/18

N2 - The theoretical data for the half-lantern complexes [{Pt((Formula presented.))(μ- (Formula presented.))}2] [1–3; (Formula presented.) is cyclometalated 2-Ph-benzothiazole; (Formula presented.) is 2-SH-pyridine (1), 2-SH-benzoxazole (2), 2-SH-tetrafluorobenzothiazole (3)] indicate that the Pt⋅⋅⋅Pt orbital interaction increases the nucleophilicity of the outer d (Formula presented.) orbitals to provide assembly with electrophilic species. Complexes 1–3 were co-crystallized with bifunctional halogen bonding (XB) donors to give adducts (1–3)2⋅(1,4-diiodotetrafluorobenzene) and infinite polymeric [1⋅1,1′-diiodoperfluorodiphenyl]n. X-ray crystallography revealed that the supramolecular assembly is achieved through (Aryl)I⋅⋅⋅d (Formula presented.) [PtII] XBs between iodine σ-holes and lone pairs of the positively charged (PtII)2 centers acting as nucleophilic sites. The polymer includes a curved linear chain ⋅⋅⋅Pt2⋅⋅⋅I(areneF)I⋅⋅⋅Pt2⋅⋅⋅ involving XB between iodine atoms of the perfluoroarene linkers and (PtII)2 moieties. The 195Pt NMR, UV/Vis, and CV studies indicate that XB is preserved in CH(D)2Cl2 solutions.

AB - The theoretical data for the half-lantern complexes [{Pt((Formula presented.))(μ- (Formula presented.))}2] [1–3; (Formula presented.) is cyclometalated 2-Ph-benzothiazole; (Formula presented.) is 2-SH-pyridine (1), 2-SH-benzoxazole (2), 2-SH-tetrafluorobenzothiazole (3)] indicate that the Pt⋅⋅⋅Pt orbital interaction increases the nucleophilicity of the outer d (Formula presented.) orbitals to provide assembly with electrophilic species. Complexes 1–3 were co-crystallized with bifunctional halogen bonding (XB) donors to give adducts (1–3)2⋅(1,4-diiodotetrafluorobenzene) and infinite polymeric [1⋅1,1′-diiodoperfluorodiphenyl]n. X-ray crystallography revealed that the supramolecular assembly is achieved through (Aryl)I⋅⋅⋅d (Formula presented.) [PtII] XBs between iodine σ-holes and lone pairs of the positively charged (PtII)2 centers acting as nucleophilic sites. The polymer includes a curved linear chain ⋅⋅⋅Pt2⋅⋅⋅I(areneF)I⋅⋅⋅Pt2⋅⋅⋅ involving XB between iodine atoms of the perfluoroarene linkers and (PtII)2 moieties. The 195Pt NMR, UV/Vis, and CV studies indicate that XB is preserved in CH(D)2Cl2 solutions.

KW - density functional calculations

KW - halogen bonding

KW - noncovalent interactions

KW - platinum

KW - supramolecular chemistry

KW - HYDROGEN-BOND

KW - SIGMA-HOLE

KW - PLATINUM

KW - CRYSTAL-STRUCTURES

KW - NONCOVALENT INTERACTIONS

KW - OXIDATIVE ADDITION

KW - QUANTITATIVE-ANALYSIS

KW - BINUCLEAR COMPLEXES

KW - CHALCOGEN BOND

KW - INTERMOLECULAR INTERACTIONS

UR - http://www.scopus.com/inward/record.url?scp=85085552701&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/18909772-3a74-342c-84ba-c5a1a92e0358/

U2 - 10.1002/chem.202001196

DO - 10.1002/chem.202001196

M3 - Article

AN - SCOPUS:85085552701

VL - 26

SP - 7692

EP - 7701

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

SN - 0947-6539

IS - 34

ER -

ID: 53798600