Study on photodissociation spectra and decay pathways of gas-phase PdCl3– and PdCl2– anions by electrospray ionization mass spectrometry and MRCI calculation

[Display omitted] •Photodissociations of gas-phase palladium complex anions, PdCl3- and PdCl2-, are investigated.•Electrospray ionization mass spectrometry reveals main photodissociation product.•Neutral Cl and anionic Cl- are produced from PdCl3- and PdCl2-, respectively.•MRCI calculations find exc...

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Bibliographic Details
Published in:Chemical physics letters 2024-12, Vol.857, p.141736, Article 141736
Main Authors: Koyama, Masahiro, Kurosaki, Yuzuru, Muramatsu, Satoru, Saeki, Morihisa, Inokuchi, Yoshiya
Format: Article
Language:English
Subjects:
Electrospray ionization mass spectrometry
MRCI calculation
Palladium complex anion
Photodissociation
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Summary:[Display omitted] •Photodissociations of gas-phase palladium complex anions, PdCl3- and PdCl2-, are investigated.•Electrospray ionization mass spectrometry reveals main photodissociation product.•Neutral Cl and anionic Cl- are produced from PdCl3- and PdCl2-, respectively.•MRCI calculations find excited-state potential curves determining photodissociation. We investigate photodissociation of the gas-phase palladium complex anions, Pd(II)Cl3- and Pd(I)Cl2-, both experimentally and theoretically. Visible photodissociation mass spectrometry reveals that the main dissociation channels differ for Pd(II)Cl3- and Pd(I)Cl2-; the former yields neutral chlorine atom (Pd(I)Cl2- + Cl) whereas the latter affords chloride anion (Pd(I)Cl + Cl-). Absorption spectrum and photodissociation channels are predicted using the MRCI method. The observed absorption spectrum and dissociation product for Pd(II)Cl3- agree with the MRCI calculation, whereas those for Pd(I)Cl2- do not, which suggests that some relaxation process such as internal conversion significantly contributes to the photodissociation of Pd(I)Cl2-.
ISSN:0009-2614
DOI:10.1016/j.cplett.2024.141736