کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1307451 | 975140 | 2008 | 13 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Reactions of permanganyl chloride with allene in low-temperature matrices Reactions of permanganyl chloride with allene in low-temperature matrices](/preview/png/1307451.png)
The light-induced (546 nm) reaction of MnO3Cl with allene has been investigated in low-temperature argon matrices at 11 K. IR spectroscopic studies in combination with isotopic enrichment experiments (18O, D) and DFT calculations (B3LYP/LanL2DZ) allowed the identification of (O)2MnCl(OCCH2CH2) (1), and (O)2MnCl(H2COCCH2) (2) as the products. Possible ways for their formation are first of all discussed qualitatively in the context of the literature available, and then quantitatively with the background of DFT data (B3LYP/6-311G(d)) obtained for starting materials, products, transition states and intermediates. The most reasonable interpretation involves two-state reactivity.
The light-induced reaction of MnO3Cl with allene in low-temperature argon matrices at 11 K leads to the products (O)2MnCl(OCCH2CH2) (1), and (O)2MnCl(H2COCCH2) (2). DFT studies revealed that 2 can be formed on the singlet surface via attack at the central or terminal carbon atoms, while a spin-crossover proceeds the formation of 1.Figure optionsDownload as PowerPoint slide
Journal: Inorganica Chimica Acta - Volume 361, Issue 2, 15 January 2008, Pages 436–448