Search results for "Spectroscopy"

Using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for the characterization of functionalized carbon nanotubes

2013

RATIONALE Functionalization of carbon nanotubes (CNTs) generates complex systems that require the development of suitable characterization protocols. New techniques have been explored, and existing analytical and spectroscopic methods to characterize functionalized CNTs have been adapted. Presently, chemical characterization of functionalized CNTs (f-CNTs) remains a difficult task. METHODS Matrix-assisted laser desorption/ionization (MALDI) analysis is performed on f-MWCNT samples prepared via grafting or absorption of anti-oxidant (AO) molecules on both MWCNT-COOH and MWCNT-OH. Covalently functionalized MWCNTs were subjected to thermal degradation and/or hydrolysis reaction before analysis…

Excitation and detection geometries for Fourier-transform mass spectometry

1994

A short overview of current excitation and detection techniques for Fourier-transform mass spectrometry and related ion cyclotron resonance experiments is given, and some ideas are discussed which may lead to new developments.

First Fourier-transform ion cyclotron resonance signals of very highly charged atomic ions

1994

We report on the first application of Fourier-transform ion cyclotron resonance mass spectrometry to the very highly charged ions produced in the high-energy electron beam ion trap (SuperEBIT) at the Lawrence Livermore National Laboratory. Initial results are described, and spectra are presented from ions as highly charged as Cs53+.

Mass spectrometry of 3,4-dihydroquinazol-4-ones of pharmaceutical interest. Part 2: Common structure of the C8H4N2R+ ions from 3-isoxazolyl-3-pyrazol…

1988

High Resolution Mass Spectrometry of Light Ions in a Penning Trap

1996

DFT Calculations of the Electric Field Gradient at the Tin Nucleus as a Support of Structural Interpretation by119Sn Mössbauer Spectroscopy

2005

DFT calculations, using an all-electron basis set and with full geometry optimization, were performed on 34 Sn(II) and Sn(IV) compounds of known structure and (119)Sn Mössbauer parameters, to obtain the theoretical values of the electric field gradient components, V(xx), V(yy), and V(zz), at the tin nucleus. These were used to determine the quantity V = V(zz)[1+ 1/3((V(xx) - V(yy))/((V(zz))(2)](1/2), for each investigated compound, which is related to the quadrupole splitting (DeltaE) parameter according to DeltaE = 1/2eQV, where e is the electronic charge and Q is the quadrupole moment of the tin nucleus. The linear fitting of the correlation plot of the experimental DeltaE, versus the cor…

Radical cations and dications of bis[1]benzothieno[1,4]thiazine isomers

2021

Bis[1]benzothieno[1,4]thiazines (BBTT) are particularly electron-rich S,N-heteropentacenes and their radical cations and dications can be relevant intermediates in charge transport materials. All three regioisomers of N-p-fluorophenyl-BBTT (syn–syn, syn–anti, and anti–anti) were studied. A reliable preparation of radical cations and dications using antimony pentachloride as an oxidant gives deeply colored salts. The electronic structure of the radical cations was assessed by EPR spectroscopy, whereas dicationic structures were characterized by NMR spectroscopy. In addition, a deeper insight into the electronic structure was experimentally and computationally obtained by UV/Vis spectroscopy …

Radioactively labelled epoxides. Part VI. tritium-labelled mono- and dimethyl substituted phenyl oxiranes (styrene oxides)

1988

Tritium-labelled (E)- and (Z)-2,3-dimethyl-2-phenyl oxirane 4, (E)- and (Z)-2-methyl-3-phenyl oxirane 7 and 2,2-dimethyl-3-phenyl oxirane 11 have been prepared by reduction of the corresponding bromoketones with sodium borotritide to the corresponding bromohydrins followed by cyclization to the oxiranes. These oxiranes were successfully used as diagnostic substrates to distinguish between different forms of epoxide hydrolase and glutathione transferase.

Efficient synthesis of 2-bromo-1-[18F]fluoroethane and its application in the automated preparation of 18F-fluoroethylated radiopharmaceuticals

2001

An efficient synthesis of 2-bromo-1-[18F]fluoroethane from commercially available 1,2-dibromoethane and its integration into an automated preparation device was developed for the routine synthesis of 18F-fluoroethylated radiopharmaceuticals. The precursor 1,2-dibromoethane was reacted with the [18F]fluoride/Kryptofix®2.2.2./carbonate-complex in acetonitrile at 70°C for 3 minutes. The crude reaction mixture was diluted with water, loaded on a LiChrolute ®EN-cartridge, eluated with acetonitrile and passed through an Alumina ®B-cartridge. The method can provide 2-bromo-1-[18F]fluoroethane with 98% radiochemical purity completely free of 1, 2-dibromoethan within 10 min, thus avoiding a purifyin…

Installation of Amine Moieties into a Polycyclic Anodic Product Derived from 2,4-Dimethylphenol

2011

When 2,4-dimethylphenol is anodically treated, a dehydrotetramer with four contiguous stereocentres is readily obtained on a multi-gram scale. The substitution of a 2,4-dimethyl-phenoxy fragment by several amines was demonstrated, and the best results were obtained with primary amines. Optically pure α-chiral aliphatic amines yield diastereomeric mixtures that can be separated in most cases. The basic amine causes a partial hemiketal-opening of the bisbenzofuran moiety leading to an equilibrium within an α,β-unsaturated cyclohexenone. This dynamic behaviour occurs on the time scale of NMR spectroscopy and is also found by X-ray analysis providing a consistent picture.