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Studies of Nature of Uncommon Bifurcated I-I···(I - M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals
Publication type: Journal Article
Publication date: 2021-08-06
scimago Q1
wos Q1
SJR: 0.958
CiteScore: 7.4
Impact factor: 4.7
ISSN: 00201669, 1520510X
PubMed ID:
34357775
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
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.
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Total citations:
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Bulatova M. et al. Studies of Nature of Uncommon Bifurcated I-I···(I - M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals // Inorganic Chemistry. 2021. Vol. 60. No. 17. pp. 13200-13211.
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Bulatova M., Ivanov D. M., Rautiainen J., Kinzhalov M. A., Truong K., Lahtinen E., Haukka M. Studies of Nature of Uncommon Bifurcated I-I···(I - M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals // Inorganic Chemistry. 2021. Vol. 60. No. 17. pp. 13200-13211.
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TY - JOUR
DO - 10.1021/acs.inorgchem.1c01591
UR - https://doi.org/10.1021/acs.inorgchem.1c01591
TI - Studies of Nature of Uncommon Bifurcated I-I···(I - M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals
T2 - Inorganic Chemistry
AU - Bulatova, Margarita
AU - Ivanov, Daniil M
AU - Rautiainen, J.
AU - Kinzhalov, M. A.
AU - Truong, Khai-Nghi
AU - Lahtinen, Elmeri
AU - Haukka, Matti
PY - 2021
DA - 2021/08/06
PB - American Chemical Society (ACS)
SP - 13200-13211
IS - 17
VL - 60
PMID - 34357775
SN - 0020-1669
SN - 1520-510X
ER -
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@article{2021_Bulatova,
author = {Margarita Bulatova and Daniil M Ivanov and J. Rautiainen and M. A. Kinzhalov and Khai-Nghi Truong and Elmeri Lahtinen and Matti Haukka},
title = {Studies of Nature of Uncommon Bifurcated I-I···(I - M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals},
journal = {Inorganic Chemistry},
year = {2021},
volume = {60},
publisher = {American Chemical Society (ACS)},
month = {aug},
url = {https://doi.org/10.1021/acs.inorgchem.1c01591},
number = {17},
pages = {13200--13211},
doi = {10.1021/acs.inorgchem.1c01591}
}
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MLA
Copy
Bulatova, Margarita, et al. “Studies of Nature of Uncommon Bifurcated I-I···(I - M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals.” Inorganic Chemistry, vol. 60, no. 17, Aug. 2021, pp. 13200-13211. https://doi.org/10.1021/acs.inorgchem.1c01591.