All Tables

Table 1: Comparison between available far-IR gas-phase laboratory measurements (Zhang et al. 1996; Pirali et al. 2006; Pirali 2004, first column), our DFT results, both unscaled (second column) and scaled with an empirical factor of $\sim$ 0.958 (third column) and the previously published DFT results (Langhoff 1996; Martin et al. 1996, last column).
Table 2: Comparison between two sets of model runs for coronene (C₂₄H₁₂) in different exciting RFs. For each model run and each band, we list the absolute integrated flux and, in parentheses, the flux fraction.
Table 3: Integrated photon absorption rates $\mathcal{R}$ (s^-1) and average absorbed energy $\mathcal{E}$ (eV), computed using calculated photo-absorption cross-sections (Malloci et al. 2004) for the whole sample of 20 neutral PAHs and their cations in the three RFs considered.
Table A.1: Comparison between the integrated photon absorption rates $\mathcal{R}$ (in s^-1) and the average absorbed energy $\mathcal{E}$ (in eV) computed using theoretical ( $\sigma _{\rm th}$ , Malloci et al. 2004) and laboratory ( $\sigma _{\rm lab}$ , Joblin et al. 1992; Joblin 1992) photo-absorption cross-sections for anthracene, pyrene, coronene, and ovalene in the three RFs considered.
Table A.2: Comparison between various model runs for neutral anthracene (C₁₄H₁₀), using either the experimental ( $\sigma _{\rm lab}$ , Joblin et al. 1992; Joblin 1992) or the theoretical ( $\sigma _{\rm th}$ , Malloci et al. 2004) photo-absorption spectrum, in different RFs. Bands which are electric-dipole forbidden are enclosed in square brackets in the first column. In each of the other columns, we list the absolute flux emitted by one molecule in a given band and RF and, in parentheses, the flux fraction in that band. Bands whose calculated flux fraction in the ISRF is less than 0.05% are omitted.
Table A.3: Like Table A.2 for neutral pyrene (C₁₆H₁₀).
Table A.4: Like Table A.2 for neutral coronene (C₂₄H₁₂).
Table A.5: Like Table A.2 for neutral ovalene (C₃₂H₁₄).
Table B.1: Comparison between model runs for neutral anthracene, assuming the detailed relaxation channels available or considering only IR de-excitation. We list the absolute flux emitted by one molecule in the Red Rectangle RF and, in parentheses, the flux fraction in that band. Bands whose calculated flux fraction is $\leq$ 0.03% are omitted. Electric-dipole forbidden bands are enclosed in square brackets.
Table B.2: Like Table C.5 for neutral phenanthrene (C₁₄H₁₀).
Table B.3: Like Table C.5 for neutral pyrene (C₁₆H₁₀).
Table C.1: Predicted far-IR ( $\lambda_{\rm peak}\gtrsim15~\mu{\rm m}$ ) emission spectrum of one molecule of neutral naphthalene (C₁₀H₈) in different exciting RFs. Under optically thin conditions total fluxes can be obtained simply multiplying these fluxes by the appropriate column density.
Table C.2: Like Table C.1 for the naphthalene cation (C₁₀H₈⁺).
Table C.3: Like Table C.1 for fluorene (C₁₃H₁₀).
Table C.4: Like Table C.1 for the fluorene cation (C₁₃H₁₀⁺).
Table C.5: Like Table C.1 for anthracene (C₁₄H₁₀).
Table C.6: Like Table C.1 for the anthracene cation (C₁₄H₁₀⁺).
Table C.7: Like Table C.1 for phenanthrene (C₁₄H₁₀).
Table C.8: Like Table C.1 for the phenanthrene cation (C₁₄H₁₀⁺).
Table C.9: Like Table C.1 for pyrene (C₁₆H₁₀).
Table C.10: Like Table C.1 for the pyrene cation (C₁₆H₁₀⁺).
Table C.11: Like Table C.1 for fluoranthene (C₁₆H₁₀).
Table C.12: Like Table C.1 for the fluoranthene cation (C₁₆H₁₀⁺).
Table C.13: Like Table C.1 for tetracene (C₁₈H₁₂).
Table C.14: Like Table C.1 for the tetracene cation (C₁₈H₁₂⁺).
Table C.15: Like Table C.1 for chrysene (C₁₈H₁₂).
Table C.16: Like Table C.1 for the chrysene cation (C₁₈H₁₂⁺).
Table C.17: Like Table C.1 for perylene (C₂₀H₁₂).
Table C.18: Like Table C.1 for the perylene cation (C₂₀H₁₂⁺).
Table C.19: Like Table C.1 for pentacene (C₂₂H₁₄).
Table C.20: Like Table C.1 for the pentacene cation (C₂₂H₁₄⁺).
Table C.21: Like Table C.1 for benzo[g,h,i]perylene (C₂₂H₁₂).
Table C.22: Like Table C.1 for the benzo[g,h,i]perylene cation (C₂₂H₁₂⁺).
Table C.23: Like Table C.1 for anthanthrene (C₂₂H₁₂).
Table C.24: Like Table C.1 for the anthanthrene cation (C₂₂H₁₂⁺).
Table C.25: Like Table C.1 for coronene (C₂₄H₁₂).
Table C.26: Like Table C.1 for the coronene cation (C₂₄H₁₂⁺).
Table C.27: Like Table C.1 for dibenzo[cd,lm]perylene (C₂₆H₁₄).
Table C.28: Like Table C.1 for the dibenzo[cd,lm]perylene cation (C₂₆H₁₄⁺).
Table C.29: Like Table C.1 for bisanthene (C₂₈H₁₄).
Table C.30: Like Table C.1 for the bisanthene cation (C₂₈H₁₄⁺).
Table C.31: Like Table C.1 for terrylene (C₃₀H₁₆).
Table C.32: Like Table C.1 for the terrylene cation (C₃₀H₁₆⁺).
Table C.33: Like Table C.1 for ovalene (C₃₂H₁₄).
Table C.34: Like Table C.1 for the ovalene cation (C₃₂H₁₄⁺).
Table C.35: Like Table C.1 for circumbiphenyl (C₃₈H₁₆).
Table C.36: Like Table C.1 for the circumbiphenyl cation (C₃₈H₁₆⁺).
Table C.37: Like Table C.1 for quaterrylene (C₄₀H₂₀).
Table C.38: Like Table C.1 for the quaterrylene cation (C₄₀H₂₀⁺).
Table C.39: Like Table C.1 for dicoronylene (C₄₈H₂₀).
Table C.40: Like Table C.1 for the dicoronylene cation (C₄₈H₂₀⁺).