0000000001173366
AUTHOR
Matti Tuikka
A Novel Halogen Bond Acceptor : 1-(4-Pyridyl)-4-Thiopyridine (PTP) Zwitterion
Sulfur is a widely used halogen bond (XB) acceptor, but only a limited number of neutral XB acceptors with bifurcated sp3-S sites have been reported. In this work a new bidentate XB acceptor, 1-(4-pyridyl)-4-thiopyridine (PTP), which combines sp3-S and sp2-N acceptor sites, is introduced. Three halogen bonded cocrystals were obtained by using 1,4-diiodobenzene (DIB), 1,4-diiodotetrafluorobenzene (DIFB), and iodopentafluorobenzene (IPFB) as XB donors and PTP as acceptor. The structures of the cocrystals showed some XB selectivity between the S and N donors in PTP. However, the limited contribution of XB to the overall molecular packing in these three cocrystals and the results from DSC measu…
A novel bisphosphonate-based solid phase method for effective removal of chromium(iii) from aqueous solutions and tannery effluents
Effective removal of chromium(III) from waste waters e.g. in the leather industry is required due to continuously tightening environmental regulations, and several methods such as precipitation and adsorption are currently in use. Nevertheless, more efficient, straightforward and inexpensive methods are constantly being sought. The current study describes a novel method to separate chromium(III) from aqueous solutions based on the use of solid bisphosphonates with a P–C–P backbone. Five classes of bisphosphonates with different functional groups and alkyl chain lengths at the center carbon, in all 16 compounds, were prepared and their suitability for metal ion complexing as chelating agents…
Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom
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 …
Fine-tuning halogen bonding properties of diiodine through halogen–halogen charge transfer – extended [Ru(2,2′-bipyridine)(CO)2X2]·I2 systems (X = Cl, Br, I)
The current paper introduces the use of carbonyl containing ruthenium complexes, [Ru(bpy)(CO)2X2] (X = Cl, Br, I), as halogen bond acceptors for a I2 halogen bond donor. In all structures, the metal coordinated halogenido ligand acts as the actual halogen bond acceptor. Diiodine, I2, molecules are connected to the metal complexes through both ends of the molecule forming bridges between the complexes. Due to the charge transfer from Ru–X to I2, formation of the first Ru–X⋯I2 contact tends to generate a negative charge on I2 and redistribute the electron density anisotropically. If the initial Ru–X⋯IA–IB interaction causes a notable change in the electron density of I2, the increased negativ…
Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]···I2···(CH3OH)···I2···[RuI2(H2dcbpy)(CO)2].
A new type of concerted halogen bond-hydrogen bond interaction was found in the solid state structure of [RuI(2)(H(2)dcbpy)(CO)(2)]···I(2)···(MeOH)···I(2)···[RuI(2)(H(2)dcbpy)(CO)(2)]. The iodine atoms of the two I(2) molecules interact simultaneously with each other and with the OH group of methanol of crystallization. The interaction was characterized by single crystal X-ray measurements and by computational charge density analysis based on DFT calculations.
A new copper chloride chain by supported hydrogen bonding
In the current paper we introduce a new type of Cu–Cl polymer ([H2bipip]2+[CuCl3]2−)n. In this polymer the trigonal CuCl3 units are covalently linked via chloride bridges. The structure is supported by the bipiperidinium cation ([H2bipip]2+) via hydrogen bonds. The cation plays an essential role in formation of the polymeric structure. The closely related piperazinium (H2pip)2+ cation also leads to a hydrogen bonded assembly of CuCl3 ([H2pip]2+[CuCl3]2−), but a covalently bound polymer was not obtained.
Halogen bonding—a key step in charge recombination of the dye-sensitized solar cell
The halogen bonding between [Ru(dcbpy)(2)(SCN)(2)] dye and I(2) molecule has been studied. The ruthenium complex forms a stable [Ru(dcbpy)(2)(SCN)(2)]···I(2)·4(CH(3)OH) adduct via S···I interaction between the thiocyanate ligand and the I(2) molecule. The adduct can be seen as a model for one of the key intermediates in the regeneration cycle of the oxidized dye by the I(-)/I(3)(-) electrolyte in dye sensitized solar cells.
Extended Assemblies of Ru(bpy)(CO)2X2 (X = Cl, Br, I) Molecules Linked by 1,4-Diiodotetrafluoro-Benzene (DITFB) Halogen Bond Donors
The ruthenium carbonyl compounds, Ru(bpy)(CO)2X2 (X = Cl, Br or I) act as neutral halogen bond (XB) acceptors when co-crystallized with 1,4-diiodotetrafluoro-benzene (DITFB). The halogen bonding strength of the Ru-X&sdot
Hydroformylation of 1-Hexene over Rh/Nano-Oxide Catalysts
The effect of nanostructured supports on the activity of Rh catalysts was studied by comparing the catalytic performance of nano- and bulk-oxide supported Rh/ZnO, Rh/SiO₂ and Rh/TiO₂ systems in 1-hexene hydroformylation. The highest activity with 100% total conversion and 96% yield of aldehydes was obtained with the Rh/nano-ZnO catalyst. The Rh/nano-ZnO catalyst was found to be more stable and active than the corresponding rhodium catalyst supported on bulk ZnO. The favorable morphology of Rh/nano-ZnO particles led to an increased metal content and an increased number of weak acid sites compared to the bulk ZnO supported catalysts. Both these factors favored the improved catalytic performan…
Crystal structure of the pyridine–diiodine (1/1) adduct
In the title adduct, C5H5N·I2, the N—I distance [2.424 (8) Å] is remarkably shorter than the sum of the van der Waals radii. The line through the I atoms forms an angle of 78.39 (16)° with the normal to the pyridine ring.
CCDC 935269: Experimental Crystal Structure Determination
Related Article: Matti Tuikka,Ulo Kersen,Matti Haukka|2013|CrystEngComm|15|6177|doi:10.1039/C3CE40692J
CCDC 935268: Experimental Crystal Structure Determination
Related Article: Matti Tuikka,Ulo Kersen,Matti Haukka|2013|CrystEngComm|15|6177|doi:10.1039/C3CE40692J
CCDC 1524888: Experimental Crystal Structure Determination
Related Article: Xin Ding, Matti Tuikka, Pipsa Hirva, Matti Haukka|2017|Solid State Sciences|71|8|doi:10.1016/j.solidstatesciences.2017.06.016
CCDC 935271: Experimental Crystal Structure Determination
Related Article: Matti Tuikka,Ulo Kersen,Matti Haukka|2013|CrystEngComm|15|6177|doi:10.1039/C3CE40692J
CCDC 935270: Experimental Crystal Structure Determination
Related Article: Matti Tuikka,Ulo Kersen,Matti Haukka|2013|CrystEngComm|15|6177|doi:10.1039/C3CE40692J