Search results for "HDI"
showing 10 items of 789 documents
Halogen bonds in 2,5-dihalopyridine-copper(II) chloride complexes
2018
Ten coordination complexes obtained through a facile reaction between 2,5-dihalopyridines and copperIJII) chloride (CuCl2) are characterized using single crystal X-ray diffraction. Two series of dihalopyridine complexes based on 2-chloro-5-X-pyridine and 2-bromo-5-X-pyridine (X = F, Cl, Br and I) were prepared to analyze the C–X2/X5⋯Cl–Cu halogen bonds (XB). The influence of X2- and X5-substituents on the respective interactions was examined by comparing them to the X2/X3⋯Cl–Cu XBs found in mono-substituted halopyridine complexes, (n-X-pyridine)2·CuCl2 (n = 2, 3 and X = Cl, Br and I). Varying the X5-halogens in (2,5-dihalopyridine)2·CuCl2, the C5–X5⋯Cl–Cu XBs follow the order F5 1 and they c…
Extended Assemblies of Ru(bpy)(CO)2X2 (X = Cl, Br, I) Molecules Linked by 1,4-Diiodotetrafluoro-Benzene (DITFB) Halogen Bond Donors
2019
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
Cooperative N–H bond activation by amido-Ge(ii) cations
2020
N-heterocyclic carbene (NHC) and tertiary phosphine-stabilized germylium-ylidene cations, [R(L)Ge:]+, featuring tethered amido substituents at R have been synthesized via halide abstraction. Characterization in the solid state by X-ray crystallography shows these systems to be monomeric, featuring a two-coordinate C,N- or P,N-ligated germanium atom. The presence of the strongly Lewis acidic cationic germanium centre and proximal amide function allows for facile cleavage of N–H bonds in 1,2-fashion: the products resulting from reactions with carbazole feature a tethered secondary amine donor bound to a three-coordinate carbazolyl-GeII centre. In each case, addition of the components of the N…
Asymmetric [N–I–N]+ halonium complexes
2020
The first asymmetric halogen-bonded iodonium complexes [I(py)(4-DMAP)]PF6 (2c) and [I(py)(4-Etpy)]PF6 (2e) were prepared via [N-Ag-N]+ → [N-I-N]+ cation exchange of their analogous 2-coordinate silver complexes. The complexes were characterised by 1H and 1H-15N HMBC NMR spectroscopy, and single crystal X-ray crystallography. peerReviewed
A Novel Halogen Bond Acceptor : 1-(4-Pyridyl)-4-Thiopyridine (PTP) Zwitterion
2020
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…
Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands
2022
A series of iron(II) complexes with the general formula [FeII(L2-Qn)(L)]n+ (n = 1, L = F−, Cl−; n = 2, L = NCMe, H2O) have been isolated and characterized. The X-ray crystallographic data reveals that metal–ligand bond distances vary with varying ligand field strengths of the sixth ligand. While the complexes with fluoride, chloride and water as axial ligand are high spin, the acetonitrile-coordinated complex is in a mixed spin state. The steric bulk of the quinoline moieties forces the axial ligands to deviate from the Fe–Naxial axis. A higher deviation/tilt is noted for the high spin complexes, while the acetonitrile coordinated complex displays least deviation. This deviation from linear…
A Monomeric Aluminum Imide (Iminoalane) with Al–N Triple-Bonding: Bonding Analysis and Dispersion Energy Stabilization
2021
The reaction of :AlAriPr8 (AriPr8 = C6H-2,6-(C6H2-2,4,6-iPr3)2-3,5-iPr2) with ArMe6N3 (ArMe6 = C6H3-2,6-(C6H2-2,4,6-Me3)2) in hexanes at ambient temperature gave the aluminum imide AriPr8AlNArMe6 (1). Its crystal structure displayed short Al–N distances of 1.625(4) and 1.628(3) Å with linear (C–Al–N–C = 180°) or almost linear (C–Al–N = 172.4(2)°; Al–N–C = 172.5(3)°) geometries. DFT calculations confirm linear geometry with an Al–N distance of 1.635 Å. According to energy decomposition analysis, the Al–N bond has three orbital components totaling −1350 kJ mol–1 and instantaneous interaction energy of −551 kJ mol–1 with respect to :AlAriPr8 and ArMe6N̈:. Dispersion accounts for −89 kJ mol–1, …
Bis[cyclic (alkyl)(amino)carbene] isomers : Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)
2022
Isomeric bis(aldiminium) salts with a 1,4-cyclohexylene framework were synthesized. The first isolable bis(CAAC) was prepared from the trans-stereoisomer and its ditopic ligand competency was proven by conversion to iridium(I) and rhodium(I) complexes. Upon deprotonation, the cis-isomer yielded an electron rich olefin via a classic, proton-catalyzed pathway. The C[double bond, length as m-dash]C bond formation from the desired cis-bis(CAAC) was shown to be thermodynamically very favorable and to involve a small activation barrier. Compounds that can be described as insertion products of the cis-bis(CAAC) into the E–H bonds of NH3, CH3CN and H2O were also identified. peerReviewed
Krooniset adaptaatiot yhdistetyn kestävyys- ja voimaharjoitteluintervention jälkeen kestävyysharjoitelleilla miehillä
2013
Yhdistetyn voima- ja kestävyysharjoittelun vaikutuksista ollaan hyvin kiinnostuneita suorituskyvyn kannalta, ja tutkimuksia voima- ja kestävyysharjoitusten toteuttamisesta samassa harjoituksessa ei tällä hetkellä löydy vielä paljon. Tutkimuksen päätarkoituksena oli selvittää 12 viikon yhdistetyn voima- ja kestävyysharjoittelun vaikutuksia voimantuottokyvyn, tehontuoton ja kestävyyssuorituskyvyn suhteen. Osa koehenkilöistä suoritti yhdistettyä voima- ja kestävyysharjoittelua (E+S) ja osa pelkkää kestävyysharjoittelua (E). Näin saatiin selvitettyä myös, ilmenikö harjoitusvaikutusten suhteen interferenssiä eli kumoutuuko osa harjoitusvasteista yhdistetyn harjoittelun seurauksena. Tutkimuksen k…
Akuutit muutokset hormonipitoisuuksissa yhdistetyn kestävyys- ja voimakuormituksen jälkeen kestävyysharjotelleilla miehillä
2012
Akuutteja muutoksia yhdistettyyn kestävyys- ja voimakuormitukseen ei ole juuri tutkittu kestävyysharjoitelleilla miehillä. Optimaalisen suorituksen kannalta monipuolista harjoittelua ja sen vaikutuksia on syytä tutkia lisää. Tämän tutkimuksen tarkoituksena on tutkia yhdistetyn kestävyys- ja voimakuormituksen akuutteja vaikutuksia hormonipitoisuuksiin kestävyysharjoitelleilla miehillä. Lisäksi selvittää onko suorituskyvyllä ja mahdollisilla hormonivasteilla yhteyttä. Tutkimuksen koehenkilöinä oli 14 kestävyysharjoittelutaustaista miestä. Kaikki koehenkilöt olivat harrastaneet oman raportointinsa mukaan ennen tutkimuksen aloittamista kestävyysjuoksua ja muuta kestävyysharjoittelua 4-10 tuntia…