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. Author manuscript; available in PMC: 2007 Jan 11.
Published in final edited form as: J Am Chem Soc. 2005 May 25;127(20):7328–7329. doi: 10.1021/ja050432f

Figure 4.

Figure 4

Coupled C–S stretching/N-alkyl scissoring modes for dithiocarbamates on Au, based on DFT calculations (B3LYP/LANL2DZ).11 (Left) Mode I (1: calcd 436 cm−1; 2: 443 cm−1); (right) mode II (1: calcd 562 cm−1; 2: 543 cm−1). See Supporting Information for movies of vibrational modes I and II.