Publication Type Journal Article
Title Dihalomethanes as Bent Bifunctional XB/XB-Donating Building Blocks for Construction of Metal-involving Halogen Bonded Hexagons
Authors V Kashina Mikhail A. Kinzhalov Andrey S. Smirnov Daniil M. Ivanov Alexander S. Novikov V. Yu. Kukushkin
Groups CCC
Journal CHEMISTRY-AN ASIAN JOURNAL
Year 2019
Month November
Volume 14
Number 21
Pages 3915-3920
Abstract The dihalomethanes CH2X2 (X=Cl, Br, I) were co-crystallized with the isocyanide complexes trans-[MX2M(CNC6H4-4-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, CH2X2 behave as bent bifunctional XB/XB-donating building blocks, whereas trans-[MX2M(CNC6H4-4-X (c))(2)] act as a linear XB/XB acceptors. Results of DFT calculations indicate that all XCH2-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.
DOI http://dx.doi.org/10.1002/asia.201901127
ISBN
Publisher
Book Title
ISSN 1861-4728
EISSN 1861-471X
Conference Name
Bibtex ID ISI:000491557700001
Observations
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