Erratum to: Computational 19F NMR. 1. General features
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- Cite this article as:
- Saielli, G., Bini, R. & Bagno, A. Theor Chem Acc (2012) 131: 1283. doi:10.1007/s00214-012-1283-y
1 Erratum to: Theor Chem Acc (2012) 131:1140 DOI 10.1007/s00214-012-1140-z
Owing to an erroneous interchange of literature experimental data in the original publication, the interpretation of the computed results for uranium chlorofluorides should be partly modified as follows.
The 19F spectra reported by Downs (ref. ) for UF n Cl6−n could, in some cases, be assigned with confidence owing to their splitting patterns: this holds for UF5Cl (A4X), cis-UF4Cl2 (A2X2) and mer-UF3Cl3 (A2X). (However, the assignment for cis-UF4Cl2 was only tentative)
We thank Dr. Georg Schreckenbach for alerting us of this mistake.