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. Author manuscript; available in PMC: 2012 Jun 27.
Published in final edited form as: J Phys Chem Lett. 2011 Jun 27;2011(2):1672–1676. doi: 10.1021/jz2006447

Figure 1.

Figure 1

A. FTIR absorbance spectra of phenyl cyanate (PhOCN) in the cyanate asymmetric stretching region. B. FTIR absorbance spectrum of 3-azidopyridine (PyrNNN) in the azide asymmetric stretching region. Both molecules were dissolved in tetrahydrofuran (THF) and the spectra were recorded at 298 K. The maximum absorbance of each spectrum has been normalized to unity. The DFT optimized structure of each molecule at the B3PW91/6-31++G(d,p) level is shown in the insets.