6533b831fe1ef96bd1298f24
RESEARCH PRODUCT
Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom
Pipsa HirvaMatti HaukkaMatti TuikkaXin Dingsubject
chemistry.chemical_element010402 general chemistryPhotochemistry01 natural sciencesjodiMetalchemistry.chemical_compoundAtomhalogensGeneral Materials Scienceta116DichloromethanethiocyanateHalogen bondhalogeenitThiocyanateiodine010405 organic chemistryLigandRuGeneral ChemistryCondensed Matter PhysicsSulfurNitrogen3. Good health0104 chemical sciencesCrystallographychemistryvisual_arthalogeenisidoksetvisual_art.visual_art_mediumhalogen bondIodinedescription
Halogen bonding between [Ru(bpy)(CO)2(S-SCN)2] (bpy = 2,2’-bipyridine), I2 was studied by co-crystallising the metal compound and diiodine from dichloromethane. The only observed crystalline product was found to be [Ru(bpy)(CO)2(S-SCN)2]⋅I2 with only one NCS⋅⋅⋅I2 halogen bond between I2 and the metal coordinated S atom of one of the thiocyanate ligand. The dangling nitrogen atoms were not involved in halogen bonding. However, computational analysis suggests that there are no major energetic differences between the NCS⋅⋅⋅I2 and SCN⋅⋅⋅I2 bonding modes. The reason for the observed NCS⋅⋅⋅I2 mode lies most probably in the more favourable packing effects rather than energetic preferences between NCS⋅⋅⋅I2 and SCN⋅⋅⋅I2 contacts.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-09-01 | Solid State Sciences |