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Table 5 Calculated effect of varying the dielectric constant on the lowest optical transition energies (in eV) for H2S, SH-, S42-···4H2O and SbS33-···4H2O, using the CIS and CIS COSMO methods and the 6-311 + G(2d,p) basis unless otherwise noted (D = dielectric constant)

From: Calculation of the visible-UV absorption spectra of hydrogen sulfide, bisulfide, polysulfides, and As and Sb sulfides, in aqueous solution

Method/molecule

Free (CIS only)

D = 38.2

D = 78.5

H2S

6.22

6.29

6.36

SH-

4.57

5.14

5.62

S42-···4H20

3.42

3.64

3.75

SbS33-···4H2Oa

4.29

4.44

4.54

  1. aSBK+Sb, S, 0 d.