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Smith DA, Brammer L, Hunter CA, et al. Metal hydrides form halogen bonds: measurement of energetics of binding. J Am Chem Soc. 2014;136(4):1288-91doi: 10.1021/ja4121499.
Smith, D. A., Brammer, L., Hunter, C. A., & Perutz, R. N. (2014). Metal hydrides form halogen bonds: measurement of energetics of binding. Journal of the American Chemical Society, 136(4), 1288-91. https://doi.org/10.1021/ja4121499
Smith, Dan A, et al. "Metal hydrides form halogen bonds: measurement of energetics of binding." Journal of the American Chemical Society vol. 136,4 (2014): 1288-91. doi: https://doi.org/10.1021/ja4121499
Smith DA, Brammer L, Hunter CA, Perutz RN. Metal hydrides form halogen bonds: measurement of energetics of binding. J Am Chem Soc. 2014 Jan 29;136(4):1288-91. doi: 10.1021/ja4121499. Epub 2014 Jan 14. PMID: 24380577; PMCID: PMC3928989.
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J Am Chem Soc. 2014 Jan 29;136(4):1288-91. doi: 10.1021/ja4121499. Epub 2014 Jan 14.

Metal hydrides form halogen bonds: measurement of energetics of binding.

Journal of the American Chemical Society

Dan A Smith, Lee Brammer, Christopher A Hunter, Robin N Perutz

Affiliations

  1. Department of Chemistry, University of York , Heslington, York, YO10 5DD, U.K.

PMID: 24380577 PMCID: PMC3928989 DOI: 10.1021/ja4121499

Abstract

The formation of halogen bonds from iodopentafluorobenzene and 1-iodoperfluorohexane to a series of bis(η(5)-cyclopentadienyl)metal hydrides (Cp2TaH3, 1; Cp2MH2, M = Mo, 2, M = W, 3; Cp2ReH, 4; Cp2Ta(H)CO, 5; Cp = η(5)-cyclopentadienyl) is demonstrated by (1)H NMR spectroscopy. Interaction enthalpies and entropies for complex 1 with C6F5I and C6F13I 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 C6F5I as 2.9 ± 0.2, 2.5 ± 0.1, <1.5, and 12.5 ± 0.3 M(-1), respectively.

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