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; Zhong-Min Su

doi:10.1039/C4CP90185A

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DOI: 10.1039/C4CP90185A (Correction) Phys. Chem. Chem. Phys., 2015, 17, 4771-4771

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

Abstract

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(S_n), in Table 6 of the article are incorrect. The revised version of Table 6 is as shown below. The corrections of μ(S_n) have no effect on the other calculations, discussions and conclusions.

Table 6 Transition dipole moments μ(S_n) [Debye] for S₀–S_n transitions, singlet–triplet splitting energies ΔE(S_n–T₁) [eV] and the SOC matrix elements 〈T₁|H_SOC|S_n〉 [cm⁻¹] of 1–6 at their respective T₁ optimized geometries obtained from SOC-TD-B3LYP + COSMO calculations in CH₂Cl₂ solution

S_n	1			2			3
S_n	μ(S_n)	ΔE(S_n–T₁)	〈T₁\|H_SOC\|S_n〉	μ(S_n)	ΔE(S_n–T₁)	〈T₁\|H_SOC\|S_n〉	μ(S_n)	ΔE(S_n–T₁)	〈T₁\|H_SOC\|S_n〉
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

S_n	4			5			6
S_n	μ(S_n)	ΔE(S_n–T₁)	〈T₁\|H_SOC\|S_n〉	μ(S_n)	ΔE(S_n–T₁)	〈T₁\|H_SOC\|S_n〉	μ(S_n)	ΔE(S_n–T₁)	〈T₁\|H_SOC\|S_n〉
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.