## Abstract The derivatives of 2,5‐dipicryl‐1,3,4‐oxadiazole (DPO) were optimized to obtain their molecular geometries and electronic structures at the DFT‐B3LYP/6‐31G^\*^ level. Their IR spectra were obtained and assigned by vibrational analysis. Compared with the experimental results, all the cal
A criterion from vibrational spectra for distinguishing the N2H+5 from the N2H2+6 ion: vibrational spectra of hydrazinium (1+) and (2+) fluorometalates and Raman spectra of hydrazinium (1+) and (2+) fluorides in the 900–1700 cm−1 region
✍ Scribed by Svetozar Milićev; Jadran Maček
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 383 KB
- Volume
- 41
- Category
- Article
- ISSN
- 1386-1425
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✦ Synopsis
The sole dependable criterion is the activity of this vibration which appears in N,Hi+ compounds only in the Raman and in N,Hl compounds both in the Raman and the i.r. independent of ion conformation. Multiple N-H deformation and rocking absorptions reflect solid state interactions in fluorometalates, but as no strong hydrogen bonds were observed, their high position, comparable with fluorides, seems to be caused by some other effects. An exolanation for the hieh freauencv of the N-N stretching absorption in the spectra of coordinated N,H: ion is offered.
📜 SIMILAR VOLUMES
High-resolution FTIR spectra of monoisotopic D3Si35Cl have been recorded in the regions 440-590 cm-1 (nu3/nu6) and 900-1100 cm-1 (2nu6/nu3 + nu6/2nu3). A detailed rovibrational study was done for the 2nu06, 2nu-/+26, and 2nu3 overtone bands and for the 2nu+/-26-nu+/-16, 2nu06-nu-/+16, and (nu3 + nu+