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Correction: New light on an old debate: does the RCN–PtCl2 bond include any back-donation? RCN ← PtCl2 backbonding vs. the IR νC![[triple bond, length as m-dash]](https://www.rsc.org/images/entities/h2_char_e002.gif)
N blue-shift dichotomy in organonitriles–platinum(II) complexes. A thorough density functional theory – energy decomposition analysis study
Girolamo
Casella
*ab,
Célia Fonseca
Guerra
cd,
Silvia
Carlotto
e,
Paolo
Sgarbossa
f,
Roberta
Bertani
f and
Maurizio
Casarin
e
aDipartimento di Scienze della Terra e del Mare, Università degli Studi di Palermo, Via Archirafi, 22, 90123 Palermo, Italy. E-mail: girolamo.casella@unipa.it
bConsorzio Interuniversitario di Ricerca in Chimica dei Metalli nei Sistemi Biologici (C.I.R.C.M.S.B.) – Piazza Umberto I, 70121 Bari, Italy
cDepartment of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
dLeiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, Einsteinweg 55, 2333 CC Leiden, The Netherlands
eDipartimento di Scienze Chimiche, Università degli Studi di Padova, via F. Marzolo 1, 35131 Padova, Italy
fDipartimento di Ingegneria Industriale, Università degli Studi di Padova, via F. Marzolo 9, 35131 Padova, Italy
First published on 27th August 2019
Abstract
Correction for ‘New light on an old debate: does the RCN–PtCl2 bond include any back-donation? RCN ← PtCl2 backbonding vs. the IR νC![[triple bond, length as m-dash]](https://www.rsc.org/images/entities/char_e002.gif)
N blue-shift dichotomy in organonitriles–platinum(II) complexes. A thorough density functional theory – energy decomposition analysis study’ by Girolamo Casella et al., Dalton Trans., 2019, DOI: 10.1039/c9dt02440a.
(i) In the “Abstract” section
Erratum
“…RCN–X (X = H+, alkaline, Lewis acids)”.
Corrigendum
“…RCN–X (X = H+, Lewis acids)”.
(ii) In the “Introduction” section
Reference 6b, instead of reference 1, must be cited at the end of this sentence.
Erratum
“The explanation of this behavior based solely on the σ/π donation/backdonation orbital interaction model discussed earlier, would imply the lack of any N ← Pt π back-donation, or at least the occurrence of such interaction which cannot overcome the effect of the N → Pt σ donation”.1
Corrigendum
“The explanation of this behavior based solely on the σ/π donation/backdonation orbital interaction model discussed earlier, would imply the lack of any N ← Pt π back-donation, or at least the occurrence of such interaction which cannot overcome the effect of the N → Pt σ donation”.6b
(iii) In the “EDA_NOCV analysis” section
Erratum
“The results are given in Table 4 and indicate that the total N ← Pt π back-donation represents about 30% of the total ΔEOrb term and ranges from 32% to 37% with respect to the N → Pt σ interaction which means that the orbital interaction…”
Corrigendum
“The results are given in Table 4 and indicate that the total N ← Pt π back-donation represents about 30% of the total ΔEOrb term and ranges from 32% to 37% with respect to the total N-Pt σ + π interactions which means that the orbital interaction…”
(iv) In the (a) “Infrared properties of the CN bond” and (b) “Conclusion” sections
Reference 24 in the following sentences should be replaced by ref.19, i.e.:
(a) Erratum
“These results indicate that the νCN blue-shift in these complexes is not correlated to the CN bond strength, in agreement with what is already reported for some Pt(II,IV)–N systems, including the herein investigated trans-1”.24
Corrigendum
“These results indicate that the νCN blue-shift in these complexes is not correlated to the CN bond strength, in agreement with what is already reported for some Pt(II,IV)–N systems, including the herein investigated trans-1”.19
(b) Erratum
“In this context, EDA-NOCV further confirmed that the νCN was not correlated to the CN bond strength as already previously found”.24
Corrigendum
“In this context, EDA-NOCV further confirmed that the νCN was not correlated to the CN bond strength as already previously found”.19
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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