| Phys. Chem. Chem. Phys., 2004, 6 | |
Additions and corrections Photodynamics and ground state librational states of ClF molecule in solid Ar. Comparison of experiment and theory |
Toni Kiljunen, Matias Bargheer, Markus Gühr, Nikolaus Schwentner and Burkhard Schmidt
Phys. Chem. Chem. Phys., 2004, 6, 2932 (DOI: 10.1039/b401437e). Amendment published 6th August 2004
The rotational potential used in eqn. (5) of the article for the qualitative characterization of the libration contains the error made in Kiljunen et al. (DOI: 10.1039/b315149b, Additions and Corrections). However, no qualitative changes on the important aspects of zero-point energies and librational structure take place and therefore the concluding remarks remain valid. The corrected potential surface is more repulsive for the molecular rotation and the barrier height at 5 K increases from 88 cm–1 to 93 cm–1. The temperature effect at 46 K has the same trend as before but is significantly weakened according to the revised correlation diagram (Fig. 7) given below.
Fig. 7 The correlation diagram calculated with the corrected potential
V(
,
).
New level spacings are: 
E1
0
= 37 cm–1 at 5 K and 33 cm–1 at 46 K.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.