Dihalomethanes as Bent Bifunctional XB/XB‐Donating Building Blocks for Construction of Metal‐involving Halogen Bonded Hexagons

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Dihalomethanes as Bent Bifunctional XB/XB‐Donating Building Blocks for Construction of Metal‐involving Halogen Bonded Hexagons. / Kashina, Maria ; Kinzhalov, Mikhail ; Smirnov, Andrey ; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.

In: Chemistry - An Asian Journal, Vol. 14, No. 21, 04.11.2019, p. 3915-3920.

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

BibTeX

@article{49e8a753ff3543bab6a4fc6068574667,

title = "Dihalomethanes as Bent Bifunctional XB/XB‐Donating Building Blocks for Construction of Metal‐involving Halogen Bonded Hexagons",

abstract = "The dihalomethanes CH 2X 2 (X=Cl, Br, I) were co-crystallized with the isocyanide complexes trans-[MX M 2(CNC 6H 4-4-X C) 2] (M=Pd, Pt; X M=Br, I; X C=F, Cl, Br) to give an extended series comprising 15 X-ray structures of isostructural adducts featuring 1D metal-involving hexagon-like arrays. In these structures, CH 2X 2 behave as bent bifunctional XB/XB-donating building blocks, whereas trans-[MX M 2(CNC 6H 4-4-X C) 2] act as a linear XB/XB acceptors. Results of DFT calculations indicate that all XCH 2–X⋅⋅⋅X M–M contacts are typical noncovalent interactions with estimated strengths in the range of 1.3–3.2 kcal mol −1. A CCDC search reveals that hexagon-like arrays are rather common but previously overlooked structural motives for adducts of trans-bis(halide) complexes and halomethanes. ",

keywords = "haloalkanes, halogen bonding, isocyanide complexes, noncovalent interactions, supramolecular building blocks, POLYMERS, SUBSTITUTION, DONOR, COMPLEXES, NONCOVALENT INTERACTIONS, CHALCOGEN, CO-CRYSTALS, HYDROGEN, CHEMISTRY, M-X",

author = "Maria Kashina and Mikhail Kinzhalov and Andrey Smirnov and Ivanov, {Daniil M.} and Novikov, {Alexander S.} and Kukushkin, {Vadim Yu.}",

note = "Publisher Copyright: {\textcopyright} 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",

year = "2019",

month = nov,

day = "4",

doi = "10.1002/asia.201901127",

language = "English",

volume = "14",

pages = "3915--3920",

journal = "Chemistry - An Asian Journal",

issn = "1861-4728",

publisher = "Wiley-Blackwell",

number = "21",

}

RIS

TY - JOUR

T1 - Dihalomethanes as Bent Bifunctional XB/XB‐Donating Building Blocks for Construction of Metal‐involving Halogen Bonded Hexagons

AU - Kashina, Maria

AU - Kinzhalov, Mikhail

AU - Smirnov, Andrey

AU - Ivanov, Daniil M.

AU - Novikov, Alexander S.

AU - Kukushkin, Vadim Yu.

PY - 2019/11/4

Y1 - 2019/11/4

N2 - The dihalomethanes CH 2X 2 (X=Cl, Br, I) were co-crystallized with the isocyanide complexes trans-[MX M 2(CNC 6H 4-4-X C) 2] (M=Pd, Pt; X M=Br, I; X C=F, Cl, Br) to give an extended series comprising 15 X-ray structures of isostructural adducts featuring 1D metal-involving hexagon-like arrays. In these structures, CH 2X 2 behave as bent bifunctional XB/XB-donating building blocks, whereas trans-[MX M 2(CNC 6H 4-4-X C) 2] act as a linear XB/XB acceptors. Results of DFT calculations indicate that all XCH 2–X⋅⋅⋅X M–M contacts are typical noncovalent interactions with estimated strengths in the range of 1.3–3.2 kcal mol −1. A CCDC search reveals that hexagon-like arrays are rather common but previously overlooked structural motives for adducts of trans-bis(halide) complexes and halomethanes.

AB - The dihalomethanes CH 2X 2 (X=Cl, Br, I) were co-crystallized with the isocyanide complexes trans-[MX M 2(CNC 6H 4-4-X C) 2] (M=Pd, Pt; X M=Br, I; X C=F, Cl, Br) to give an extended series comprising 15 X-ray structures of isostructural adducts featuring 1D metal-involving hexagon-like arrays. In these structures, CH 2X 2 behave as bent bifunctional XB/XB-donating building blocks, whereas trans-[MX M 2(CNC 6H 4-4-X C) 2] act as a linear XB/XB acceptors. Results of DFT calculations indicate that all XCH 2–X⋅⋅⋅X M–M contacts are typical noncovalent interactions with estimated strengths in the range of 1.3–3.2 kcal mol −1. A CCDC search reveals that hexagon-like arrays are rather common but previously overlooked structural motives for adducts of trans-bis(halide) complexes and halomethanes.

KW - haloalkanes

KW - halogen bonding

KW - isocyanide complexes

KW - noncovalent interactions

KW - supramolecular building blocks

KW - POLYMERS

KW - SUBSTITUTION

KW - DONOR

KW - COMPLEXES

KW - NONCOVALENT INTERACTIONS

KW - CHALCOGEN

KW - CO-CRYSTALS

KW - HYDROGEN

KW - CHEMISTRY

KW - M-X

UR - http://www.scopus.com/inward/record.url?scp=85074418666&partnerID=8YFLogxK

UR - http://www.mendeley.com/research/dihalomethanes-bent-bifunctional-xbxbdonating-building-blocks-construction-metalinvolving-halogen-bo

U2 - 10.1002/asia.201901127

DO - 10.1002/asia.201901127

M3 - Article

VL - 14

SP - 3915

EP - 3920

JO - Chemistry - An Asian Journal

JF - Chemistry - An Asian Journal

SN - 1861-4728

IS - 21

ER -

ID: 47593875