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Correction: Theoretical study and design of multifunctional phosphorescent platinum(II) complexes containing triarylboron moieties for efficient OLED emitters

Yong Wu , Guo-Gang Shan , Hai-Bin Li , Shui-Xing Wu , Xin-Yao Ren , Yun Geng * and Zhong-Min Su *
Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China. E-mail: gengy575@nenu.edu.cn; Fax: +86-431-85684009; Tel: +86-0431-85099108

Received 22nd December 2014 , Accepted 22nd December 2014

First published on 9th January 2015


Correction for ‘Theoretical study and design of multifunctional phosphorescent platinum(II) complexes containing triarylboron moieties for efficient OLED emitters’ by Yong Wu et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c4cp04919e.


The authors regret that some values of the transition dipole moments, μ(Sn), in Table 6 of the article are incorrect. The revised version of Table 6 is as shown below. The corrections of μ(Sn) have no effect on the other calculations, discussions and conclusions.
Table 6 Transition dipole moments μ(Sn) [Debye] for S0–Sn transitions, singlet–triplet splitting energies ΔE(Sn–T1) [eV] and the SOC matrix elements 〈T1|HSOC|Sn〉 [cm−1] of 1–6 at their respective T1 optimized geometries obtained from SOC-TD-B3LYP + COSMO calculations in CH2Cl2 solution
Sn 1 2 3
μ(Sn) ΔE(Sn–T1) 〈T1|HSOC|Sn μ(Sn) ΔE(Sn–T1) 〈T1|HSOC|Sn μ(Sn) ΔE(Sn–T1) 〈T1|HSOC|Sn
S1 3.58 0.423 36.6 6.68 0.419 2.28 6.03 0.383 17.6
S2 2.37 0.875 349 1.42 0.990 106 1.82 0.682 144
S3 1.32 0.919 145 1.83 1.275 86.5 2.09 0.995 127
S4 1.00 1.041 215 0.53 1.289 76.2 1.23 1.051 24.0
S5 0.66 1.070 739 0.78 1.402 76.4 1.04 1.194 373
S6 1.76 1.128 132 0.44 1.439 276 1.90 1.262 40.3

Sn 4 5 6
μ(Sn) ΔE(Sn–T1) 〈T1|HSOC|Sn μ(Sn) ΔE(Sn–T1) 〈T1|HSOC|Sn μ(Sn) ΔE(Sn–T1) 〈T1|HSOC|Sn
S1 2.87 0.539 37.3 3.64 0.457 28.4 2.01 0.348 143
S2 4.76 0.742 33.4 1.67 0.690 297 3.04 0.519 273
S3 0.19 0.843 45.0 1.68 0.897 82.8 0.67 0.832 952
S4 3.15 1.051 25.3 1.73 1.008 97.9 0.59 0.972 168
S5 0.72 1.438 136 1.63 1.088 340 1.52 0.998 33.0
S6 1.66 1.564 43.2 0.82 1.104 650 2.38 1.096 129


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


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