ADDITION/CORRECTION pubs.acs.org/JPCA
Correction to “Photoinduced Rearrangement of Aromatic NChloroamides to Chloroaromatic Amides in the Solid State. Inverted ΠN ΣN Occupational Stability of Amidyl Radicals” [The Journal of Physical Chemistry A 2011, 115, 7834–7848 DOI: 10.1021/jp203771c]. Pance Naumov,* Yildiray Topcu, Mirjana EckertMaksic,* Zoran Glasovac, Fabijan Pavosevic, Manoj Kochunnoonny, and Hideyuki Hara The Supporting Information was incomplete. The missing part is attached here.
’ ASSOCIATED CONTENT
bS
Supporting Information. Experimental details of the synthetic and characterization procedures and results, HPLC product analysis (Table S1), complete crystallographic data in tabular (Table S2) format, complete refs 40 and 41, product analysis of 5a (NMR, Table S3), intramolecular hydrogen bonds (Table S4), optimized geometry of the N-phenylacetamidyl radical (Table S5), theoretical geometry of the N-methylacetamidyl radical (Table S6), electronic and total energies of the Π and Σ states at the UB3LYP/6-31G(d) level (Table S7), electronic and total energies of the Π and Σ states at the G3(MP2)-RAD level (Table S8), Cartesian coordinates of the optimized structures (Table S9), IR spectra of irradiated compounds (Figure S1), NMR spectra of irradiated compounds (Figure S2), effects of the excitation on the products (Figure S3), results from the HPLC product analysis (Figure S4), effects of sunlight on the IR spectra of 1a (Figure S5), effects of sunlight on the IR spectra of 5a (Figure S6), NMR product analysis of form A of 5a (Figure S7), NMR product analysis of form B of 5a (Figure S8), effects of the preparation on the IR spectra of 5a (Figure S9), and results from the theoretical calculations (Figures S10 S67). This material is available free of charge via the Internet at http://pubs.acs.org. DOI: 10.1021/jp2057145 Published on Web 06/24/2011
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dx.doi.org/10.1021/jp2057145 | J. Phys. Chem. A 2011, 115, 8181–8181
