Electrostatic Interactions and Optical Spectra

Feb 4, 2010 - 3)Fc2- 2εv. F s1. -. 2εQ(Fc1. + F s1) - 2εor(Fc1. - F s1). 2ηc2) 2η + V. 2+ (V4- 2V2- 2V3)Fc1. +. (V5. - V. 2. - V. 3)Fs1- 2εv. F ...
0 downloads 0 Views 158KB Size
3076

J. Phys. Chem. B 2010, 114, 3076

2010, Volume 114B Cristina Sissa, Francesca Terenziani, Anna Painelli,* Alessandro Abbotto,* Luca Bellotto, Chiara Marinzi, Eleonora Garbin, Camilla Ferrante,* and Renato Bozio: Dimers of Quadrupolar Chromophores in Solution: Electrostatic Interactions and Optical Spectra Page 882. A few errors were found in the paper. Neither the discussion nor the conclusions of the paper are affected by the corrections listed below. 1. The length of the D-A arm, l, was set to 4 Å in all calculations. 2. In eq 4 the 2t matrix elements should read -2t. 3. In eq 11 two c indices should be replaced with s as follows:

4. At the end of section 4.3, the renormalization factor for the matrix elements of electrostatic interactions should read ε/n2. 5. One of the curves in Figure 7 was incorrect. The amended version of Figure 7 is provided. 6. Some of the equations in the Supporting Information are corrected in the new version.

2ηc1 ) 2η + V2 + (V4 - 2V2 - 2V3)Fc2 + (V5 - V2 - V3)Fs2 - 2εvFc1 2εQ(Fc1 + Fs1) - 2εor(Fc1 - Fs1) 2ηs1 ) 2η + V3 + (V6 - 2V2 - 2V3)Fs2 + (V5 - V2 - V3)Fc2 - 2εvFs1 2εQ(Fc1 + Fs1) - 2εor(Fc1 - Fs1) 2ηc2 ) 2η + V2 + (V4 - 2V2 - 2V3)Fc1 + (V5 - V2 - V3)Fs1 - 2εvFc2 2εQ(Fc2 + Fs2) - 2εor(Fc2 - Fs2) 2ηs2 ) 2η + V3 + (V6 - 2V2 - 2V3)Fs1 + (V5 - V2 - V3)Fc1 - 2εvFs2 2εQ(Fc2 + Fs2) - 2εor(Fc2 - Fs2)

Figure 7. Only the TPA calculated at φ ) 0 differs from the original figure.

Supporting Information Available: Explicit expressions for the electrostatic interactions energies, Vi, in Table 4. This material is available free of charge via the Internet at http:// pubs.acs.org. 10.1021/jp100418b Published on Web 02/04/2010