Encontrados 4 documentos, a visualizar página 1 de 1
Synthesis and structure of novel benzisothiazole-tetrazolyl derivatives for pot...
Frija, Luís M. T.; Fausto, R.; Loureiro, Rui M. S.; Cristiano, M. Lurdes S.http://www.sciencedirect.com/science/article/B6TGM-4V70NKX-1/2/ad205afe2d6f14b54072365e68e443a0
Synthesis and structure of novel benzisothiazole-tetrazolyl derivatives for pot...
Frija, Luís M.T.; Fausto, R.; Loureiro, Rui M.S.; Cristiano, M. Lurdes S.The synthesis and characterization of novel benzisothiazole-tetrazolyl derivatives differing on the spacer-group used for the linkage of two heterocycles are described. The application of these compounds as nitrogen ligands for coordination with transition metals was also explored, leading to the preparation of 3-[1-(2-1H-tetrazol-5-yl)ethoxy]-1,2-benzisothiazole 1,1-dioxide-Mn(II) and N-(1,1-dioxo-1,2-benzisot...
Photochemistry and Vibrational Spectra of Matrix-Isolated 5-Ethoxy-1-Phenyl-1H-...
Frija, Luís M. T.; Reva, I. D.; Gómez-Zavaglia, A.; Cristiano, M. L. S.; Fausto, R.A combined matrix isolation FT-IR and theoretical DFT(B3LYP)/6-311++G(d,p) study of the molecular structure and photochemistry of 5-ethoxy-1-phenyl-1H-tetrazole (5EPT) was performed. A new method of synthesis of the compound is described. Calculations show three minima, very close in energy and separated by low-energy barriers (less than 4 kJ mol-1), in the ground-state potential energy profile of the molecule....
Vibrational spectra and structure of 1-phenyltetrazole and 5-chloro-1-phenyltet...
Bugalho, Susana C.S.; Lapinski, Leszek; Cristiano, M.Lurdes S.; Frija, Luís M.T.; Fausto, RuiInfrared spectra of 1-phenyltetrazole (C7N4H6) and 5-chloro-1-phenyltetrazole (C7N4H5Cl) isolated in argon matrixes (T=8 K) and in the solid state (at room temperature) were studied. DFT(B3LYP)/6-31G* calculations predict the minimum energy conformation of 1-phenyltetrazole as being non-planar, with the two rings (phenyl and tetrazole) twisted by 29°. For 5-chloro-1-phenyltetrazole, the optimized dihedral angle...
| Financiadores do RCAAP | |||||||
|
|
|
|
|
|
||