Search results for "Spectroscopy"
showing 10 items of 10293 documents
Potential determining salts in microemulsions: interfacial distribution and effect on the phase behavior.
2013
In this work we consider potential determining salts, also referred to as phase transfer agents for a future objective of electrochemistry at the oil-water interface in microemulsions. We have studied these salts, composed of a hydrophilic and a hydrophobic ion, in microemulsion stabilized by nonionic surfactants with an oligo ethylene oxide headgroup. NMR measurements show that the salts preferentially dissociate across the surfactant interface between the oil and water domains, and hence create a potential drop across the surfactant film, and back to back diffuse double layers in the oil and water phases. These observations are also supported by Poisson-Boltzmann calculations. This adsorp…
Experimental IR study and ab initio modelling of ethylene adsorption in a MFI - type host zeolite.
2009
International audience; Different ab initio methods and experimental results are used to investigate the effect of the adsorption of one ethylene molecule on silicalite-1, a MFI type zeolite. We used simplified models to simulate a portion of a straight or sinusoidal channel of silicalite-1 at a quantum level. The calculated absorption spectra of the models are qualitatively in good agreement with the experimental FTIR spectrum of silicalite-1. Additionally we simulate the FTIR spectrum of the isolated ethylene molecule and that of an ethylene molecule in interaction with the above-mentioned zeolite models. Results are discussed depending on the method and specific basis set and compared wi…
[N⋅⋅⋅I+⋅⋅⋅N] Halogen-Bonded Dimeric Capsules from Tetrakis(3-pyridyl)ethylene Cavitands
2016
Two [N⋅⋅⋅I+⋅⋅⋅N] halogen-bonded dimeric capsules using tetrakis(3-pyridyl)ethylene cavitands with different lower rim alkyl chains are synthesized and analyzed in solution and the gas phase. These first examples of symmetrical dimeric capsules making use of the iodonium ion (I+) as the main connecting module are characterized by 1H NMR spectroscopy, diffusion ordered NMR spectroscopy (DOSY), electrospray ionization mass spectrometry (ESI-MS), and ion mobility-mass spectrometry (TW-IMS) experiments. The synthesis and effective halogen-bonded dimerization proceeds through analogous dimeric capsules with [N⋅⋅⋅Ag+⋅⋅⋅N] binding motifs as the intermediates as evidenced by the X-ray structures of …
2-(N,N-Diethylaminomethyl)-6,7-trihydroquinolinyl-8-ylideneamine-Ni(ii) chlorides: application in ethylene dimerization and trimerization
2020
A series of Ni(II) complexes with the general formula [2-((NEt2)Me)-8-{N(Ar)}C9H8N]NiCl2, where Ar = 2,6-Me2C6H3 in Ni1, 2,6-Et2C6H3 in Ni2, 2,6-i-Pr2C6H3 in Ni3, 2,4,6-Me3C6H2 in Ni4, 2,6-Et2-4-MeC6H2 in Ni5, and 2,4,6-t-Bu3C6H2 in Ni6, has been prepared using a one-pot reaction of 2-(N,N-diethylaminomethyl)-6,7-dihydroquinolin-8(5H)-one with the corresponding aniline and nickel dichloride hexahydrate. The resultant complexes were characterized using elemental analysis and FT-IR spectroscopy, while the mononuclear Ni1 and Ni3 were also the subject of single-crystal X-ray diffraction study. On activation with MMAO, the complexes Ni1–Ni6 displayed good activity in ethylene oligomerization, f…
High-resolution infrared spectroscopy of the CH2 = CD2 molecule
2018
In this thesis we have considered spectra of the CH2=CD2 molecule. In the experimental part we recorded high-resolution (~ 0.0025 cm-1) infrared spectra and made full assignment of the recorded transitions. We were able to assign for the first time a lot of transitions to the weak combinations υ4+υ10, υ4+υ7 and 2υ10 overtone; forbidden due to the symmetry υ4, υ7+υ10, υ8+υ10; «hot» υ7+υ10–υ10 and υ8+υ10–υ10 bands. More than 7000 previously unknown transitions were assigned to the fundamental bands υ2, υ3, υ6, υ7, υ8, υ10, υ12 and 2υ7 overtone. On the base of operator perturbation theory and the symmetry properties of the studied molecule, we constructed an effective Hamiltonian and then fitt…
Preparation of titanocene and zirconocene dichlorides bearing bulky 1,4-dimethyl-2,3-diphenylcyclopentadienyl ligand and their behavior in polymeriza…
2009
Abstract New metallocene dichlorides [η 5 -(1,4-Me 2 -2,3-Ph 2 -C 5 H) 2 TiCl 2 ] ( 2 ), [η 5 -(1,4-Me 2 -2,3-Ph 2 -C 5 H) 2 ZrCl 2 ] ( 3 ) and [η 5 -(1,4-Me 2 -2,3-Ph 2 -C 5 H)η 5 -(C 5 H 5 )ZrCl 2 ] ( 4 ) were prepared from lithium salt of 1,4-dimethyl-2,3-diphenylcyclopentadiene ( 1 ) and [TiCl 3 (THF) 3 ], [ZrCl 4 ] and [η 5 -(C 5 H 5 )ZrCl 3 (DME)], respectively. Compounds 2–4 were characterized by NMR spectroscopy, EI-MS and IR spectroscopy, and the solid state structure of 3 was determined by single crystal X-ray crystallography. The catalytic systems 3 /MAO and 4 /MAO were almost inactive in polymerization of ethylene at 30–50 °C, however, they exhibited high activity at temperature…
Influence of temperature on the hydration products of low pH cements
2012
International audience; The chemical evolution of two hydrated "low pH" binders prepared from binary (60% Portland cement + 40% silica fume) or ternary (37.5% Portland cement +32.5% silica fume + 30% fly-ash) mixtures was characterized over one year at 20 degrees C. 50 degrees C, and 80 degrees C. The main hydrates were Al-substituted C-S-H. Raising the temperature from 20 to 80 degrees C caused a lengthening and cross-linking of their silicate chains. Ettringite that formed in pastes stored at 20 degrees C was destabilized. Only traces of calcium sulfate (gypsum and/or anhydrite) reprecipitated after one year in some materials cured at 50 degrees C and 80 degrees C. The sulfates released w…
Evanescent wave-initiated photopolymerisation as a new way to create monolithic open-tubular capillary columns: use as enzymatic microreactor for on-…
2010
Evanescent wave-initiated photopolymerisation in an optically wave guiding PTFE-coated fused silica capillary using light-emitting diode as a light source, is established here as a way to fabricate monolithic porous layer open-tubular capillary columns with a potential in capillary separation methods; application of the obtained open-tubular columns as enzymatic microreactors for on-line protein digestion is demonstrated.
Infrared evolved gas analysis during thermal investigation of lanthanum, europium and samarium carbonates
2003
Abstract The characterisation of rare earth elements carbonates (REECs) was performed by thermal analysis (TG–DTG) combined with simultaneous infrared evolved gas analysis–Fourier transform infrared (EGA–FTIR) spectroscopy. The TG–DTG curves were obtained using the Perkin-Elmer PC series TGA-7 thermogravimetric analyser in the temperature range 25–800 °C both in dynamic air and nitrogen atmosphere. La 2 (CO 3 ) 3 · n H 2 O, Eu 2 (CO 3 ) 3 · n H 2 O and Sm 2 (CO 3 ) 3 · n H 2 O were analysed, the dehydration and decarbonation steps were investigated and the water content was calculated. The trace rare earth elements in lanthanum, europium and samarium carbonates were determined by Philips PU…
The Influence of Microbiome Dysbiosis and Bacterial Biofilms on Epidermal Barrier Function in Atopic Dermatitis—An Update
2021
Atopic dermatitis (AD) is a common inflammatory dermatosis affecting up to 30% of children and 10% of adults worldwide. AD is primarily driven by an epidermal barrier defect which triggers immune dysregulation within the skin. According to recent research such phenomena are closely related to the microbial dysbiosis of the skin. There is growing evidence that cutaneous microbiota and bacterial biofilms negatively affect skin barrier function, contributing to the onset and exacerbation of AD. This review summarizes the latest data on the mechanisms leading to microbiome dysbiosis and biofilm formation in AD, and the influence of these phenomena on skin barrier function.