Bradley F. Parsons, Sean M. Sheehan, Terry A. Yen, Daniel M. Neumark*

Phys. Chem. Chem. Phys., 2007, 9, (DOI: 10.1039/b703045b). Amendment published 21st May 2007

The atom label at position three in deprotonated thymine was incorrectly labeled as carbon in Fig. 1. We have updated the atom label to properly identify atom three as nitrogen.

The correct version of Fig. 1 should be as follows:

Fig. 1 (A) Structures of the canonical forms of thymine (left) and cytosine (right). The N1 position is where the nucleobase bonds to the sugar–phosphate backbone in DNA. (B) Structure and relative energy of some isomers of deprotonated thymine. The most stable isomer of deprotonated thymine is the N1 isomer shown on the top left in the figure. N3 deprotonated thymine is less stable by ∼0.57 eV. (C) Structure and relative energy of deprotonated cytosine isomers. The most stable isomer of deprotonated cytosine is the N1 isomer shown in the bottom middle of the figure. The trans-N8 isomer is less stable than the N1 isomer by ∼0.13 eV and the cis-N8 isomer is less stable than the N1 isomer by ∼0.39 eV.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

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