| Autor: |
Hagemann H; Department de Chimie Physique, Université de Genève, 30, quai E. Ansermet, CH-1211 Geneva 4, Switzerland. hans-rudolf.hagemann@unige.ch, D'Anna V, Carbonnière P, Gil Bardají E, Fichtner M |
| Jazyk: |
angličtina |
| Zdroj: |
The journal of physical chemistry. A [J Phys Chem A] 2009 Dec 17; Vol. 113 (50), pp. 13932-6. |
| DOI: |
10.1021/jp904991j |
| Abstrakt: |
Specifically labeled NaBD(3)H has been synthesized and characterized using X-ray diffraction, NMR, and vibrational spectroscopy. The isotopic purity of the compound, as estimated from NMR spectra, was found to be about 85% with the compound NaBD(2)H(2) as the second product. IR spectra confirm the relatively strong intensity of the single B-H stretching mode predicted from DFT calculations. Anharmonic DFT calculations show that for the BD(3)H(-) ion Fermi resonances with the single B-H stretching mode are very limited, making this mode a promising structural probe for complex borohydrides which can be prepared by metathetical reactions. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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