SiCaSDa database
Calculated spectroscopic line lists for silane (SiH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
ChMeCaSDa database
Calculated spectroscopic line lists for chloromethane (CH3Cl), resulting from the most recent high-resolution experimental spectrum assignments and fits.
1-{4-[(Hexyloxy)methyl]pyridin-2-yl}ethanone
A new member of the 2-acetylpyridine family has been prepared and characterized by NMR and IR spectroscopies.
GeCaSDa database
Calculated spectroscopic line lists for germane (GeH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds
A novel series of 14 spiropyrrolidines bearing thiochroman-4-one/chroman-4-one, and oxindole/acenaphthylene-1,2-dione moieties were synthesized and characterized by spectroscopic techniques, as well as by three X-ray diffraction studies, corroborating the stereochemistry. Quantum chemical ...
CaDDiAcS - Calculated Database of Dijon for Atomic Spectra
The CaDDiAcS base contains spectroscopic data for some complex atoms and ions, in particular lanthanides. For many transitions, it gives the wavelengths, the spontaneous-emission Einstein coefficients, and the absorption oscillator strengths, calculated in ICB (Dijon) and Aimé Cotton (Orsay) ...
1-(4-Formyl-2,6-dimethoxyphenoxy)-4-chlorobut-2-yne
A reaction of biomass-derived aldehyde synringaldehyde and half an equivalent of 1,4-dichlorobut-2-yne was attempted in order to obtain a bis-aldehyde with an alkyne spacer. The reaction was carried out in a basic media to effect bis O-alkylation, as described in literature for the preparation of ...
4′-(5-Methylfuran-2-yl)-2,2′:6′,2″-terpyridine: A New Ligand Obtained from a Biomass-Derived Aldehyde with Potential Application in Metal-Catalyzed Reactions
The new ligand 4′-(5-methylfuran-2-yl)-2,2′:6′,2″-terpyridine (1) was prepared in one step from 2-acetylpyridine and 5-methylfurfural. The latter is an aldehyde that can be readily obtained from biomass. The new terpyridine molecule was characterized by 1H and 13C-NMR spectroscopy as well as by ...
4,4″-Dichloro-4′-(2-thienyl)-2,2′:6′,2″-terpyridine
A new thiophene-substituted terpyridine derivative has been prepared and characterized. This ligand features a thiophene heterocycle (as an electrochemically polymerizable unit) as well as two chlorine atoms for further functionalization.
4′-(N-(Propan-1,2-dienyl)pyrrol-2-yl)-2,2′:6′,2″-terpyridine
A new pyrrole-substituted terpyridine derivative that possesses an allene moiety was obtained as an “unexpected” sole product during an attempt to alkylate the N-atom of pyrrole with propargyl bromide in order to obtain an alkyne-functionalized terpyridine.
4′-(5-n-Propylthiophen-2-yl)-2,2′:6′,2″-terpyridine
A new thiophene-substituted terpyridine derivative has been prepared through the reaction between 5-n-propylthiophene-2-carboxaldehyde and 2-acetylpyridine. This terpyridine derivative bears an alkyl chain linked via a thiophene heterocycle.
Three-Component Access to Functionalized Spiropyrrolidine Heterocyclic Scaffolds and Their Cholinesterase Inhibitory Activity
A novel one-pot [3+2]-cycloaddition reaction of (E)-3-arylidene-1-phenyl-succinimides, cyclic 1,2-diketones (isatin, 5-chloro-isatin and acenaphtenequinone), and diverse α-aminoacids such as 2-phenylglycine or sarcosine is reported. The reaction provides succinimide-substituted dispiropyrrolidine ...
UHeCaSDa database
Calculated spectroscopic line lists for uranium hexafluide (UF6), resulting from the most recent high-resolution experimental spectrum assignments and fits.
TFSiCaSDa database
Calculated spectroscopic line lists for silicon tetrafluoride (SiF4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
MeCaSDa database
Calculated spectroscopic line lists for methane (CH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
SHeCaSDa database
Calculated spectroscopic line lists for sulfur hexafluoride (SF6), resulting from the most recent high-resolution experimental spectrum assignments and fits.
TFMeCaSDa database
Calculated spectroscopic line lists for carbon tetrafluoride, resulting from the most recent high-resolution experimental spectrum assignments and fits.
RuCaSDa database
Calculated spectroscopic line lists for ruthenium tetroxide (RuO4), resulting from the most recent high-resolution experimental spectrum assignments and fits.