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Metal hydrides form halogen bonds: Measurement of energetics of binding

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JournalJournal of the American Chemical Society
DateE-pub ahead of print - 31 Dec 2013
DatePublished (current) - 29 Jan 2014
Issue number4
Volume136
Number of pages4
Pages (from-to)1288-1291
Early online date31/12/13
Original languageEnglish

Abstract

The formation of halogen bonds from iodopentafluorobenzene and 1-iodoperfluorohexane to a series of bis(η-cyclopentadienyl) metal hydrides (CpTaH, 1; CpMH, M = Mo, 2, M = W, 3; CpReH, 4; CpTa(H)CO, 5; Cp = η-cyclopentadienyl) is demonstrated by H NMR spectroscopy. Interaction enthalpies and entropies for complex 1 with C FI and CFI are reported (ΔH = -10.9 ± 0.4 and -11.8 ± 0.3 kJ/mol; ΔS = -38 ± 2 and -34 ± 2 J/(mol·K), respectively) and found to be stronger than those for 1 with the hydrogen-bond donor indole (ΔH = -7.3 ± 0.1 kJ/mol, ΔS = -24 ± 1 J/(mol·K)). For the more reactive complexes 2-5, measurements are limited to determination of their low-temperature (212 K) association constants with CFI as 2.9 ± 0.2, 2.5 ± 0.1,

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