Search results for "Spectroscopy"
showing 10 items of 10293 documents
Solid state conformational behavior and interactions of a series of aromatic oligoamide foldamers
2016
The topic of this thesis is aromatic oligoamide foldamers. The literary review of the thesis discusses the general features of foldamers and their design and then focuses on the specific examples of aromatic oligoamide foldamers. The experimental part of the thesis discusses the design and preparation of a family of aromatic oligoamide foldamers that can adopt a helical conformation. The folding is directed by intramolecular hydrogen bonding and stabilized by intramolecular aromatic interactions. The focus of the thesis is the analysis of the solid state conformations of ten foldamer analogues. The analysis is based on forty different crystal structures which are determined using single cry…
X-Ray structure, Hirshfeld analysis and DFT studies of two new hits of triazolyl-indole bearing alkylsulfanyl moieties
2021
Two new hits of triazolyl-indole containing two different alkylsulfanyl analogues named tert-butyl 2-((4-amino-5-(1H-indol-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate 2, and ethyl 2-((4-amino-5-(1H-indol-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate 3 were synthesized via reaction of 4-amino-5-(1H-indol-2-yl)-1,2,4-triazol-3(2H)-thione 1 with tert-butyl bromoacetate and ethyl chloroacetate in the presence of base (Et3N). The molecular structure of 2, and 3 was confirmed by single-crystal X-ray diffraction and 1H/13C- NMR spectroscopic techniques. In compound 2, the molecular packing depends on significant O...H (9.3%), N...H (12.4%) and S...H (3.1%) as well as relatively weak C...H (14.1%), S...C (…
Synergistic enhancement via plasmonic nanoplate-bacteria-nanorod supercrystals for highly efficient SERS sensing of food-borne bacteria
2017
Bio-sensing techniques utilizing metallic nanoparticles as a probe have gained more and more attention and play today an important role in the detection of bacteria. To date, although several sensing materials have been tested, there is still a long way to go to achieve a fast, low-cost, ultrasensitive and multifunctional substrate suitable for a universal biosensor for detection of bacterial cells. Here, we report a novel probe design based on anisotropic plasmonic nanoparticles organized to a biocompatible 3D bio-inorganic scaffold, i.e., nanoplate-bacteria-nanorod supercrystals (NBNS) with extremely high surface-enhanced Raman spectroscopic (SERS) activity as a model of synergistic plasm…
Neutral Iron Emission Lines From The Day-side Of KELT-9b -- The GAPS Programme With HARPS-N At TNG XX
2020
We present the first detection of atomic emission lines from the atmosphere of an exoplanet. We detect neutral iron lines from the day-side of KELT-9b (Teq $\sim$ 4, 000 K). We combined thousands of spectrally resolved lines observed during one night with the HARPS-N spectrograph (R $\sim$ 115, 000), mounted at the Telescopio Nazionale Galileo. We introduce a novel statistical approach to extract the planetary parameters from the binary mask cross-correlation analysis. We also adapt the concept of contribution function to the context of high spectral resolution observations, to identify the location in the planetary atmosphere where the detected emission originates. The average planetary li…
The bending triad of the quasi-spherical top molecule SO2F2 in the 550 cm(-1) region
2006
International audience; The analysis of the v(3)/v(7)/v(9) bending triad of SO2F2 has been recently performed with the Watson's Hamiltonian up to octic terms employing 79 rovibrational parameters but including only the first order Coriolis interaction terms, fixed to ab initio values [H. Burger, J. Demaison, F. Hegelund, L. Margules, I. Merke, J. Mol. Struct. 612 (2002) 133-141]. Since SO2F2 is a quasi-spherical top, it can also be considered as derived from the SO42- sulfate ion. We have thus developed a new tensorial formalism in the O(3) > Td > C2v group chain [M. Rotger, V. Boudon, M. Loete, J. Mol. Spectrosc. 216 (2002) 297-307]. This approach allows a systematic development of rovibra…
A study of the atmospherically important reactions between dimethyl selenide (DMSe) and molecular halogens (X2 = Cl2, Br2, and I2) with ab initio cal…
2012
The atmospherically relevant reactions between dimethyl selenide (DMSe) and the molecular halogens (X(2) = Cl(2), Br(2), and I(2)) have been studied with ab initio calculations at the MP2/aug-cc-pVDZ level of theory. Geometry optimization calculations showed that the reactions proceed from the reagents to the products (CH(3)SeCH(2)X + HX) via three minima, a van der Waals adduct (DMSe:X(2)), a covalently bound intermediate (DMSeX(2)), and a product-like complex (CH(3)SeCH(2)X:HX). The computed potential energy surfaces are used to predict what molecular species are likely to be observed in spectroscopic experiments such as gas-phase photoelectron spectroscopy and infrared matrix isolation s…
Kaon-proton strong interaction at low relative momentum via femtoscopy in Pb-Pb collisions at the LHC
2021
Physics letters / B 822, 136708 (2021). doi:10.1016/j.physletb.2021.136708
Changes in surface stress, morphology and chemical composition of silica and silicon nitride surfaces during the etching by gaseous HF acid
2007
International audience; HF acid attack of SiO2 and Si3N4 substrates is analyzed to improve the sensitivity of a sensor based on inicrocantilever. Ex situ analysis of the etching using XPS, SIMS and AFM show significant changes in the anisotropy and the rate of the etching of the oxides on SiO2 and Si3N4 surface. Those differences influence the kinetic evolution of the plastic bending deflection of the cantilever coated with SiO2 and Si3N4 layer, respectively. The linear dependence between the HF concentration and the Si3N4 cantilever bending corresponds to a deep attack of the layer whereas the nonlinear behavior observed for SiO2 layer can be explained by a combination of deep and lateral …
Carbon Dots Dispersed on Graphene/SiO2/Si: A Morphological Study
2019
Low-dimensional carbon materials occupy a relevant role in the field of nanotechnology. Herein, the authors report a study conducted by atomic force microscopy and Raman spectroscopy on the deposition of carbon dots onto graphene surfaces. The study aims at understanding if and how the morphology and the microstructure of chemical vapor deposited graphene on Si/SiO2 may change due to the interaction with the carbon dots. Potential alteration in the graphene's electrical properties might be detrimental for optoelectronic applications. The deposition of carbon dots dispersed in water and ethanol solvents are explored to investigate the effect of solvents with different fluidic properties. The…
Towards high-accuracy mass spectrometry of highly charged short-lived ions at ISOLTRAP
2006
Dedicated to H.-J. Kluge on the occasion of his 65th birthday anniversary - Jürgen Kluge Special Issue; Multiply charged ions of stable xenon isotopes from a plasma ion source have been mass-selected by the on-line mass separator ISOLDE/CERN and delivered to the triple-trap mass spectrometer ISOLTRAP. The doubly charged ions that survived the charge-exchange processes during bunching and ion preparation were transferred to a precision Penning trap for mass determination. Mass values were obtained for the isotopes with mass numbers A=126,129,130,136. They are consistent with previous results except for the case of $^{126}Xe$ where a significant deviation from the literature value was found. …