Search results for "MOLECULE"

ChemInform Abstract: Synthesis of New Asymmetric Xanthene Dyes via Catalyst-Free SNAr with Sulfur Nucleophiles.

2014

Addition of a single functional handle to the tricyclic moiety of fluorescein results in asymmetric xanthene dyes. Our synthesis of a new class of asymmetric xanthenes proceeds via an unusual SNAr with sulfur nucleophiles on electron rich aromatic xanthenes scaffolds in the absence of a metal catalyst. The resulting 3′-thioethers exhibit high photostability and are conveniently converted into reactive dyes for macromolecule labelling.

Sulfur Dioxide Oxidation Catalyzed by Photosensitized Ytterbium Diphthalocyanine

2008

Oxidation of SO2 into SO3 was found effectively catalyzed by photosensitized ytterbium diphthalocyanine, YbPc2 (Pc = phthalocyanine ligand, C32H16N8) when performed in air-saturated dimethylformamide (DMF) solution at 20 °C. The process follows according to a multi-step complex mechanism involving chemical induction as its driving force. Excitation energy of the sandwich molecular system in YbPc2 is used to promote the reaction by creating a reactive intermediate form of the ytterbium complex hosting up to eight SO2 molecules. The conversion of SO2 proved complete.

Conway irreducible hyperbolic knots with two common covers

2005

International audience; For each pair of coprime integers n > m ≥ 2 we construct pairs of non equivalent Conway irreducible hyperbolic knots with the same n-fold and m-fold cyclic branched covers.

Investigation of the vibrational dynamics of the HCN/CNH isomers through high order canonical perturbation theory

2000

International audience; Molecular vibrations of the molecule HCN/CNH are examined using a combination of a minimum energy path Hamiltonian and high order canonical perturbation theory , as suggested in a recent work [D. Sugny and M. Joyeux, J. Chem. Phys. 112, 31 (2000)]. In addition, the quantum analog of the classical CPT is presented and results obtained therefrom are compared to the classical ones. The MEP Hamiltonian is shown to provide an accurate representation of the original potential energy surface and a convenient starting point for the CPT. The CPT results are subsequently used to elucidate the molecular dynamics: It appears that the isomerization dynamics of HCN/CNH is very tri…

On the high resolution spectroscopy and intramolecular potential function of SO2

2009

Abstract Two weak stretching bands, ν 1  + 3 ν 3 and 3 ν 1  +  ν 3 , of the sulfur dioxide molecule have been recorded at high resolution and analyzed for the first time with using a Fourier transform Bruker IFS-120 HR interferometer. About 1000 transitions with J max .  = 51, K a max . = 16 , and 900 transitions with J max .  = 53, K a max . = 16 have been assigned to the bands ν 1  + 3 ν 3 and 3 ν 1  +  ν 3 , respectively. Analysis of the recorded spectra was made using the model of isolated vibrational states. Parameters obtained from the fit reproduce the initial experimental ro-vibrational energies with the rms deviation of 0.0006 and 0.0012 cm −1 for the bands, 3 ν 1  +  ν 3 and ν 1  …

High resolution study of the six lowest doubly excited vibrational states of PH2D

2005

Abstract The five lowest doubly excited deformational vibrational bands ν 4  +  ν 6 , 2 ν 6 , ν 3  +  ν 4 , ν 3  +  ν 6 , and 2 ν 3 of PH 2 D have been recorded for the first time using a Bruker 120 HR interferometer with a resolution 0.0033 cm −1 and analysed. Some transitions belonging to a very weak band 2 ν 4 have been also assigned. From the fit 24 and 86, respectively, diagonal and resonance interaction parameters were obtained which reproduce 1089 upper energy levels obtained from more than 4600 assigned transitions with the rms deviation of 0.00059 cm −1 .

The U(p+1) Formalism Applied to The Vibrational Hamiltonians of Nonlinear AB2 Molecules

2000

Symmetry-adapted tensorial formalism to model rovibrational and rovibronic spectra of molecules pertaining to various point groups

2004

International audience; We present a short review on the tensorial formalism developed by the Dijon group to solve molecular spectroscopy problems. This approach, originally devoted to the rovibrational spectroscopy of highly symmetrical species (spherical tops) has been recently extended in several directions: quasi-spherical tops, some symmetric and asymmetric tops, and rovibronic spectroscopy of spherical tops in a degenerate electronic state. Despite its apparent complexity (heavy notations, quite complex mathematical tools), these group theoretical tensorial methods have a great advantage of flexibility: a systematic expansion of effective terms for any rovib- rational/rovibronic probl…

Algebraic Hamiltonian Adapted to Strech-Bend Coupling in the Stibine Molecule.

2003

Analysis of highly excited 'hot' bands in the SO2 molecule: ν2 + 3ν3 - ν2 and 2ν1 + ν2 + ν3 - ν2

2010

International audience; We set up a variational procedure of assignments of transitions and we applied it to the analysis very weak 'hot' bands, v(2) + 3v(3) - v(2) and 2v(1) + v(2) + v(3) - v(2), of the SO2 molecule. As the first step of the study, the 'cold' bands, 3v(3) and 2v(1) + v(3), are re-analysed and transitions belonging to those bands are assigned up to the values of quantum numbers J(max.) = 60, K-a(max.) = 19, and J(max.) = 69, K-a(max.) = 20 for the bands 3v(3) and 2v(1) + v(3), respectively. After 'cleaning' the experimental spectrum from transitions belonging to the 3v(3) and 2v(1) + v(3) bands, a variational procedure was used that allowed us to assign 230 and 115 transiti…