Skip to main content
. Author manuscript; available in PMC: 2013 Apr 18.
Published in final edited form as: J Phys Chem A. 2008 Dec 11;112(49):12629–12636. doi: 10.1021/jp8060202

TABLE 1.

Electronic Energies (in cm–1) of the S1 (21Ag–) and S2 (11Bu+) States of the Dimethylpolyenesa

S0 (11Ag–) → S2 (11Bu+)
 S1 (21Ag–) → S0 (11Ag–)
solvent n R(n) N = 4 N = 5 N = 6 N = 7 N = 4 N = 5 N = 6 N = 7
pentane 1.357 50 0.219 32 32 370 ± 4 29 360 ± 9 27 092 ± 4 25 320 ± 4 27 772 ± 12 24 244 ± 10 21 384 ± 21 19 183 ± 1
hexane 1.375 06 0.22895 32 287 ± 11 29 268 ± 4 26 976 ± 4 25 195 ± 2 27 770 ± 6 24 253 ± 10 21 397 ± 25 19 210 ± 2
heptane 1.387 77 0.235 85 32 233 ± 5 29 213 ± 2 26 939 ± 9 25 167 ± 6 27 775 ± 9 24 241 ± 10 21 363 ± 27 19 172 ± 2
isoctane 1.391 50 0.237 86 32 284 ± 4 29 278 ± 3 26 999 ± 4 24 259 ± 10 21 392 ± 24
octane 1.397 40 0.241 03 32 178 ± 12 29 171 ± 4 26 886 ± 5 25 102 ± 6 27 727 ± 20 24 248 ± 10 21 358 ± 31 19 218 ± 1
nonane 1.405 40 0.245 31 32 136 ± 8 29 131 ± 6 26 820 ± 2 25 063 ± 4 27 743 ± 15 24 240 ± 10 21 360 ± 28
tridecane 1.425 60 0.256 01 32 028 ± 4 26 720 ± 4 21 347 ± 23
pentadecane 1.431 50 0.259 11 19 220 ± 3
hexadecane 1.434 50 0.260 68 31 975 ± 3 28 926 ± 3 24 897 ± 7 27 759 ± 13 24 232 ± 10 19 224 ± 2
benzene 1.501 10 0.294 67 31 572 ± 5 28 599 ± 5 26 305 ± 4 24 540 ± 4 27 694 ± 9 24 161 ± 10 21 257 ± 28 19 149 ± 2
gas phase 1.008 0.005 33 34711 ± 8 31 805 ± 10
vacuum27,28 1 0 34 783 ± 3
a

N is the number of π-electron conjugated double bonds. The state energies were determined from the spectral origins (0–0) of the S0(11Ag–) → S2 (11Bu+) absorption and S1 (21Ag–) → S0 (11Ag–) emission. R(n) = (n2 – 1)/(n2 + 2) is the solvent polarizability, where n is the index of refraction of the solvent. The uncertainties represent ±1σ from the mean of a set of Gaussian fits to the absorption and emission spectra.