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• W2605497050 abstract "Abstract Results emerging from a CASSCF‐MRMP2 study are used to explain the products observed under matrix isolation conditions for the interactions M + CH 3 CN (M=V( 4 F), Nb( 6 D), Ta( 4 F)). A two‐reaction scheme is proposed to rationalize the low‐spin inserted species detected for the niobium and tantalum interactions, mainly the quadruplet CH 3 ‐Nb‐NC and the doublet CH 2 =Ta‐(H)NC compounds, respectively. According to this scheme, the radicals CH 3 + M‐NC are formed in each case from the ground state of the reactants. As these radical fragments remain trapped in the matrix they can recombine themselves in a second reaction, which evolves to the low‐spin observed products. The absence of inserted products for the vanadium reaction is also explained in terms of this scheme. The picture attained for the investigated reactions fits better with the available experimental data than previous descriptions based on spin‐flip models." @default.
• W2605497050 created "2017-04-28" @default.
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• W2605497050 date "2017-04-13" @default.
• W2605497050 modified "2023-10-06" @default.
• W2605497050 title "Rationalizing the Low-Spin Products Observed for the Reactions M+CH3 CN (M=V, Nb,Ta) Through a Non-Spin Flip Scheme." @default.
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• W2605497050 doi "https://doi.org/10.1002/slct.201700314" @default.
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