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Published Erratum
. 2023 Jun 15;127(23):5075-5081.
doi: 10.1021/acs.jpca.3c03005. Epub 2023 Jun 6.

Correction to "The CH- 3Σ- Anion: Inelastic Rate Coefficients from Collisions with He at Interstellar Conditions"

Jorge Alonso de la Fuente, Cristina Sanz-Sanz, Lola Gonzalez-Sanchez, E Yurtsever, Roland Wester, Francesco A Gianturco
Published Erratum

Correction to "The CH- 3Σ- Anion: Inelastic Rate Coefficients from Collisions with He at Interstellar Conditions"

Jorge Alonso de la Fuente et al. J Phys Chem A. .
No abstract available

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Figures

Figure 1
Figure 1
Pictorial view of the isolated CH– molecular anion’s lower electronic states. See the main text for further details.
Figure 2
Figure 2
Spatial distribution of the triatomic PES given via energy isolines for the 3A″ electronic ground state. The He projectile approaches the H-end of the anion at 0°. Energy in cm–1 and distances in Å. See the main text for further details.
Figure 3
Figure 3
Comparison of three angular cuts of the two PESs related to the present ground state calculations (solid lines) in comparison with the first excited electronic state (dashed lines) we had computed before. See the main text for further details.
Figure 4
Figure 4
Comparison between the multipolar expansion coefficients for the computed HeCH– PESs of the present study. The solid lines represent the ground electronic state roots while the dashed lines report the same coefficients obtained earlier for the first excited electronic state. See the main text for further details.
Figure 5
Figure 5
Comparison between computed state-to-state rotationally inelastic cross sections using the earlier PES (solid lines) and the new, correctly computed ground state PES (dotted lines). We report five different de-excitation processes with Δj = 1, 2 from the lowest 4 and 5 levels (lower panels) and the corresponding excitation processes between the same levels (upper panels). See the main text for further comments.
Figure 6
Figure 6
Computed state-to-state rotationally inelastic rate coefficients using both the new PES discussed in this work (dashed lines) and the earlier PES for the first excited electronic state employed earlier (solid lines). The upper-left panel reports excitation processes with Δj = 1 from the lowest 5 levels, while the upper panel on the right shows those with Δj = 2 transitions. The de-excitation cross sections involving the same Δj = 1, 2 transitions are presented in the two lower panels.
Figure 7
Figure 7
Comparing the computed state-changing rate coefficients between CH– (dot-dash lines) and CN– (solid lines). The data of the former anion are from the present calculations while those of the latter are from our earlier work. The two upper panels report rotational excitation processes, while the lower two panels show de-excitation processes.
Figure 8
Figure 8
Computed state-changing rate coefficients for CH– (red sticks) and CN– (blue sticks). The data of the former anion are from the present calculations while those of the latter are from our earlier work. The two panels report rotational de-excitation processes at two different temperatures and for the lowest four excited rotational states of the two molecular systems.
Figure 9
Figure 9
Comparing the computed state-changing rate coefficients between CH– (dotdash lines), C2H– (dotted lines), and CN– (solid lines). The data of the first ion are from the present calculations while those of CN– and of the C2H– are from our earlier work in refs (12) and (14), respectively. The two upper panels report rotational excitation processes, while the lower two panels show de-excitation processes. See the main text for further details.
Figure 10
Figure 10
Computed state-changing rate coefficients for CH– (red sticks), CN– (blue sticks), and C2H– (green sticks). The data of the last two anions are from our earlier work in refs (12) and (14), respectively. The two panels report rotational de-excitation processes at two different temperatures and for the lowest four excited rotational states of the two molecular systems.
See this image and copyright information in PMC

Erratum for

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