Trokiner Arlette, Bessière Aurélie, Thouvenot René, Hau Damien, Marko Jean, Nardello Véronique, Pierlot Christel, Aubry Jean-Marie
Laboratoire de Physique du Solide, UPR CNRS A05, ESPCI, 10 Rue Vauquelin, F-75231 Paris 05, France.
Solid State Nucl Magn Reson. 2004 Jun;25(4):209-15. doi: 10.1016/j.ssnmr.2003.09.002.
In order to get some insight into the mechanism of the disproportionation of hydrogen peroxide catalyzed by calcium hydroxide, 43Ca NMR spectra of enriched samples of calcium peroxides and of their precursors have been studied in both solution and solid state. This study demonstrates that no well-defined peroxidized calcium species are formed in solution, showing that the catalytic role of calcium is likely restricted to the solid state. Most of the calcium compounds that could be involved in the catalytic process have been investigated with solid state NMR. The shift and quadrupolar parameters of Ca(OH)2, CaO2.8H2O and CaO2.2H2O2 are reported for the first time. These parameters are different enough to allow the quantitative analysis of a complex mixture of these compounds by NMR.
为了深入了解氢氧化钙催化过氧化氢歧化反应的机制，对过氧化钙富集样品及其前体在溶液和固态下的(^{43}Ca)核磁共振谱进行了研究。该研究表明，在溶液中未形成明确的过氧化钙物种，这表明钙的催化作用可能仅限于固态。利用固态核磁共振对大多数可能参与催化过程的钙化合物进行了研究。首次报道了(Ca(OH)2)、(CaO{2.8}H_2O)和(CaO_{2.2}H_2O_2)的化学位移和四极参数。这些参数差异足够大，可通过核磁共振对这些化合物的复杂混合物进行定量分析。
