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. Author manuscript; available in PMC: 2019 May 25.
Published in final edited form as: J Am Chem Soc. 2017 Jun 27;139(27):9325–9332. doi: 10.1021/jacs.7b04457

Figure 2.

Figure 2.

Selected conformations/dimers of o-nitrophenol (a; 1-OH) and o-nitro-α,α-difluorotoluene (b; I-CF2H) in the gas phase and calculated relative energies (ΔE). 1H NMR spectroscopic studies showed 1-OH and 1-CF2H to be predominantly monomeric in 100 mM CDCl3 solutions.