PubMed · 287166
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V Cattaneo, E Gremmo, G Preda, G Resta. 1978. [Root canal therapy with sodium dioxide].. https://pubmed.ncbi.nlm.nih.gov/287166/
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The geometry, frequency and intensity of the vibrational bands of 8-hydroxyquinoline N-oxide (8-HQNO) and its deuterated derivative (8-DQNO) were obtained by the density functional theory (DFT) with the BLYP and B3LYP functionals and 6-31G(d,p) basis set. The optimized bond lengths and bond angles are in good agreement with the X-ray data. The IR and INS spectra of 8-HQNO and 8-DQNO computed at the DFT level reproduce the vibrational wavenumbers and intensities with an accuracy, which allows reliable vibrational assignments.
A new route has been devised, leading to the production of VOX3 molecules where X=F, Br and I by an on-line process using vanadium oxytrichloride, VOCl3 as a starting compound passed over the following heated salts NaF, KBr and KI at 375, 700 and 550 degrees C, respectively. The products have been characterized by the IR spectra of their vapors. The low resolution gas phase on-line Fourier transform infrared spectra reported for the first time show strong bands with PQR type structure, centered at 1058, 1035, 1030 and 1025 cm(-1) assigned to the v1(a1), the O=V stretching fundamental mode of VOF3, VOCl3 VOBr3 and VOI3, respectively.
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