The calculated total spectrum of pyrimidine [geometry as shown in Fig. 1(a)] at the carbon edge is incorrect in our previous paper.1 This mistake resulted from incorrect scale factors used for different carbon atoms in pyrimidine while constructing the total spectrum.
(a) Numeration of the atoms in pyrimidine. (b) Experimental and calculated gas phase NEXAFS spectrum of pyrimidine at the carbon edge. Contributions from the different carbon atoms in the molecule are also shown below the calculated total NEXAFS spectrum of pyrimidine.
(a) Numeration of the atoms in pyrimidine. (b) Experimental and calculated gas phase NEXAFS spectrum of pyrimidine at the carbon edge. Contributions from the different carbon atoms in the molecule are also shown below the calculated total NEXAFS spectrum of pyrimidine.
The correct spectrum is shown in Fig. 1(b) beneath its experimental counterpart. We would like to report that this correction however does not affect the conclusions in our previous paper, and it actually improves the agreement between our experimental NEXAFS spectrum and the calculated one.
We thank Professor Vincenzo Carravetta and Wenhua Zhang (Institute of Chemical Physical Processes, CNR, via Moruzzi 1, 56124 Pisa, Italy) for pointing out this mistake.
