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Correction: Probing keto–enol tautomerism using photoelectron spectroscopy

Nathalie Capron ab, Bastien Casier ab, Nicolas Sisourat ab, Maria Novella Piancastelli abc, Marc Simon ab and Stéphane Carniato *ab
aSorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005, Paris, France. E-mail: Nicolas.Sisourat@upmc.fr
bCNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005, Paris, France
cDepartment of Physics and Astronomy, Uppsala University, 75120 Uppsala, Sweden

Received 24th November 2017 , Accepted 24th November 2017

First published on 6th December 2017


Correction for ‘Probing keto–enol tautomerism using photoelectron spectroscopy’ by Nathalie Capron et al., Phys. Chem. Chem. Phys., 2015, 17, 19991–19996.


The authors would like to make a correction to Table 6 in the published article where the data reported do not correspond to the legend.

The reported basis set in Table 6 is not the “Set of coefficients and exponents corresponding to oxygen core ionized optimized unrestricted HartreeFock (UHF) configurations for 6-31G basis set as calculated in ref. 54” as indicated in the caption, but is actually the ground state basis set of oxygen atom

The corrected Table 6 is shown below.

Table 6 Set of coefficients and exponents corresponding to oxygen core ionized optimized unrestricted HartreeFock (UHF) configurations for 6-31G basis set as calculated in ref. 54
O-631G*+(3s,3p,2d) Exponents (s) Coefficients (p) Coefficients (d) Coefficients
S 5964.6252793 0.001710342000    
S 895.5465891 0.013114581001    
S 203.7560106 0.065221864006    
S 57.5539866 0.228700142019    
S 18.4231966 0.476898256040    
S 6.4949949 0.354239792030    
 
L 21.8822316 −0.116752153036 0.065285646026  
L 5.1691771 −0.308316030094 0.335628169132  
L 1.4954882 1.232400167378 0.729263460286  
 
L 0.4392245 1.00 1.00  
 
D 1.50     1.00
 
L 0.1464000 1.00 1.00  
L 0.0487000 1.00 1.00  
L 0.0162000 1.00 1.00  
 
D 0.50     1.00
D 0.16     1.00


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


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