Search results for "HEXA"
showing 10 items of 3434 documents
Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Me…
2020
Metal–ligand coordination interactions are usually much stronger than weak intermolecular interactions. Nevertheless, here, we show experimental evidence and theoretical confirmation of a very rare...
Macrocyclic complexes based on [N⋯I⋯N]+ halogen bonds
2021
New 1–2 nm macrocyclic iodine(I) complexes prepared VIA a simple ligand exchange reaction manifest rigid 0.5–1 nm cavities that bind the hexafluorophosphate anion in the gas phase. The size of the cavities and the electrostatic interactions with the iodine(I) cations influence the anion binding properties of these macrocyclic complexes.
A Phenylene-Bridged Cyclohexa-meta-phenylene as Hexa-peri-hexabenzocoronene Precursor.
2018
A phenylene-bridged cyclohexa-meta-phenylene was synthesized via intramolecular Yamamoto coupling of an appropriate p-quinquephenyl derivative carrying four m-chlorophenyl substituents. The structural proof could be obtained by single-crystal X-ray diffraction analysis, which also revealed a slightly strained structure with an internal phenylene bridge. Notably, this cyclo-meta-phenylene served as a novel precursor for hexa-peri-hexabenzocoronene (HBC). The cyclodehydrogenation proceeded smoothly, providing the corresponding HBC derivative as confirmed by MALDI-TOF-MS, and UV/Vis spectroscopy.
Supramolecular assemblies and photophysical properties of ionic homo- and heteronuclear metallophilic complexes
2019
Abstract The synthesis of two dinuclear ionic complexes with chemical formula [Au(PR 3 ) 2 ][Au(C ≡ CC 5 H 4 N-4) 2 ] that contain the water soluble phosphines, PR 3 , PTA (1, 3,5-triaza-7-phosphaadamantane, 1 ) and DAPTA (3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane, 2 ) is herein described. The differences on their intermolecular reorganization have been analyzed and compared with the previously reported for the neutral complexes [Au(PR 3 )(C ≡ CC 5 H 4 N-4)]. It has been evidenced that the reorganization of the ligands giving rise to the dinuclear ionic complexes produces a complete change in the properties giving rise to Au⋯Au intermolecular assemblies. These aurophilic conta…
Cobaltocenium substituents as electron acceptors in photosynthetic model dyads
2017
Abstract Cobaltocenium carboxylic acid hexafluorophosphate has been attached to a zinc(II) meso-tetraphenyl porphyrin chromophore via an amide linkage. Optical and electrochemical studies reveal that the metallocene and the porphyrin interact only negligibly in the ground state of the dyad. Photoinduced charge-shift from the zinc porphyrin to the cobaltocenium substituent to give the zinc porphyrin radical cation and the cobaltocene occurs upon exciting the porphyrin with light. Steady state emission, time-resolved fluorescence and transient absorption pump–probe spectroscopy in addition to density functional theory calculations suggest that the charge shift to the cobaltocenium substituent…
Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π–π and C–H⋯π interactions?
2006
The syntheses of new hexa- and 1,2,4,5-tetra-1-pyrrolylmethyl-benzene (1 and 2, respectively) compounds and their crystal structures, along with those for the related disubstituted o-, m- and p-di-1-pyrrolylmethyl-benzene (3–5) derivatives are reported. The arrangements of molecules in the 1-D structure for 2–5 are controlled by the interplay of two different weak interactions: π–π and C–H⋯π (Ph) interactions. The absence of such interactions in the packing of 1 seems to be related to the arrangement of the pyrrolylmethyl arms with respect to the benzene core, which prevents the π cloud of the aromatic ring to be part of any intermolecular interaction. In addition, C–H⋯π (pyrrolyl) interact…
Synthesis and characterization of binuclear μ-oxalato nickel(II), copper(II) and zinc(II) complexes with 3,3′-diamino-N-methyl-dipropylamine or trans…
1999
Abstract New binuclear complexes of the type [(Ni(Medpt)NO3)2ox] (1) (Medpt=3,3′-diamino-N-methyl-dipropylamine, H2ox=oxalic acid), [(Ni(dach)2)2ox]NO3·2H2O (2) (dach=trans-1,2-diaminocyclohexane), [(Cu(Medpt))2ox]X2·yH2O (X=NO3, y=2 2/3 (3); X=ClO4, y=0 (4)) and [(Zn(dach)2)2ox](ClO4)2·2H2O (5) have been prepared and characterized by IR and UV–Vis spectroscopies. Spectroscopic data are consistent with oxalate-bridged structures between six-coordinated (N3O3 or N4O2) Ni(II) (compounds 1 or 2), five-coordinated (N3O2) Cu(II) (compounds 3 and 4) or six-coordinated (N4O2) Zn(II) (compound 5). The crystal structure of [(Cu(Medpt))2ox](NO3)2·2 2/3 H2O (3) has been determined by single-crystal X-…
Electrochemical and spectroelectrochemical studies of β-phosphorylated Zn porphyrins
2013
The electrochemical and spectroelectrochemical properties of two β-phosphorylated Zn porphyrins, [2-diethoxyphosphoryl-5,10,15,20-tetraphenylporphyrinato]zinc (1) and [2-diisopropoxyphosphoryl-5,10,15,20-tetraphenylporphyrinato]zinc (2), are reported in CH 2 Cl 2 and PhCN containing tetrabutylammonium perchlorate (TBAP) or tetrabutylammonium hexafluorophosphate (TBAPF6) as supporting electrolyte. Under certain solution conditions, three one-electron reductions are observed, with the last process being attributed to the product of a chemical reaction following formation of the porphyrin dianion. Two or three oxidations are observed for the same compounds, again depending upon the solution c…
The high overtone and combination levels of SF6 revisited at Doppler-limited resolution: A global effective rovibrational model for highly excited vi…
2017
Abstract Sulfur hexafluoride is an important prototypal molecule for modeling highly excited vibrational energy flow and multi quanta absorption processes in hexafluoride molecules of technological importance. It is also a strong greenhouse gas of anthropogenic origin. This heavy species, however, features many hot bands at room temperature (at which only 30% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v 6 =1 vibrational state. Using a cryogenic long path cell with variable optical path length and temperatures regulated between 120 and 163 K, coupled to Synchrotron Radiation and a high resolution interferometer, Doppler-limited spectr…
Controlled treatment of a high velocity anisotropic aquifer model contaminated by hexachlorocyclohexanes
2020
International audience; Xanthan gels were assessed to control the reductive dechlorination of hexachlorocyclohexanes (HCHs) and trichlorobenzenes (TCBs) in a strong permeability contrast and high velocity sedimentary aquifer. An alkaline degradation was selected because of the low cost of NaOH and Ca(OH)2. The rheology of alkaline xanthan gels and their ability to deliver alkalinity homogeneously, while maintaining the latter, were studied. Whereas the xanthan gels behaved like non-Newtonian shear-thinning fluids, alkalinity and Ca(OH)2 microparticles had detrimental effects, yet, the latter decreased with the shear-rate. Breakthrough curves for the NaOH and Ca(OH)2 in xanthan solutions, ca…