Computationally rational design of metal‐involving halogen bonds with π‐covalency: Structures and bonding analysis
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27036
Abstract: Traditional π‐covalent interactions have been proved in the non‐metal halogen bond adducts formed by chloride and halogenated triphenylamine‐based radical cations. In this study, we have rationally designed two metal‐involving halogen bond adducts with π‐covalency property,… read more here.
Keywords: halogen; involving halogen; halogen bond; metal ... See more keywords
Metal-involving halogen bond Ar–I⋯[dz2PtII] in a platinum acetylacetonate complex
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DOI: 10.1039/c9ce01568j
Abstract: A combined XRD and theoretical study for two adducts, [Pt(acac)2]·2(1,3,5-FIB) and [Pd(acac)2]·1,3,5-FIB (Hacac = acetylacetone; 1,3,5-FIB = 1,3,5-triiiodotrifluorobenzene), reveals that differences in the type formed halogen bond (XB) depend on the identity of the metal… read more here.
Keywords: bond; metal involving; metal; dz2ptii ... See more keywords