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Molbank 2017, 2017(4), M962; doi:10.3390/M962


Department of Chemistry, Saint Mary’s University, Halifax, NS B3H 3C3, Canada
Author to whom correspondence should be addressed.
Received: 15 September 2017 / Revised: 10 October 2017 / Accepted: 11 October 2017 / Published: 12 October 2017
(This article belongs to the Section Structure Determination)
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A new chloroform adduct of the N-heterocyclic carbene (NHC) 1,3-bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene (SIPr) has been prepared via C–H bond activation of the chloroform at the carbene carbon. This redox product was crystallized and was characterized by 1H and 13C-NMR spectroscopy, elemental analysis (EA), and single-crystal X-ray diffraction. The 1H and 13C-NMR spectroscopic data are in agreement with the crystal structure. Density functional theory (DFT) calculations were performed as a means for comparison to experimental data and the computational results are in agreement with those obtained experimentally. View Full-Text
Keywords: N-heterocyclic carbene; NHC; chloroform; carbon-halogen compound; single-crystal X-ray diffraction; crystal structure N-heterocyclic carbene; NHC; chloroform; carbon-halogen compound; single-crystal X-ray diffraction; crystal structure

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Stack, D.L.; Masuda, J.D. 1,3-Bis(2,6-diisopropylphenyl)-2-trichloromethylimidazolidine. Molbank 2017, 2017, M962.

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