TY - JOUR
T1 - Single and double cationization of organic molecules in SIMS
AU - Delcorte, A.
AU - Wojciechowski, I.
AU - Gonze, X.
AU - Garrison, B. J.
AU - Bertrand, P.
N1 - Funding Information:
The authors thank Karsten Reihs (Bayer Ag, Leverkusen, Germany) who kindly provided the deuterated PS sample. AD and XG acknowledge the Belgian Fonds National pour la Recherche Scientifique for financial support. IW acknowledges the SSTC (Belgium) for financial support. The financial support of the National Science Foundation through the Chemistry Division, the CRIF program and the MRI program are gratefully acknowledged by AD and BJG. This work was partly supported by the Action de Recherche Concertée (01/06-269) of the Communauté Française de Belgique. The ToF-SIMS equipment was acquired with the support of the Région Wallonne and FRFC-Loterie Nationale of Belgium. Electronic structure computations were performed using facilities provided by the FRFC project no. 2.4556.99. In Penn State, additional computational resources were provided in part by the IBM Selected University Resource Program and the Center for Academic Computing of Penn State University.
PY - 2002/3/1
Y1 - 2002/3/1
N2 - The cationization of sputtered organic species via metal particle adduction is investigated using a series of molecules and metallic substrates. Analyte molecules include styrene-based oligomers with various molecular weights, poly(methyl methacrylate) and a polymer additive. The chosen substrates are Al, Cr, Cu, Pd, Ag, In, Au and Pb. Metal-cationization occurs for all the substrates except Al. The cationized molecule yields vary strongly with the considered molecule and substrate and they are not correlated with the metal ion yields. In addition, double cationization with two metal particles is observed in specific cases (Cu, Pd, Ag, and Au supports, styrene-based polymers with ∼13 repeat units or more). The combination of electronic structure calculations, molecular dynamics and Monte-Carlo simulations supports an emission scheme in which excited molecules and metal atoms recombine above the surface and decay via electron emission, thereby locking the complex in the ionic state.
AB - The cationization of sputtered organic species via metal particle adduction is investigated using a series of molecules and metallic substrates. Analyte molecules include styrene-based oligomers with various molecular weights, poly(methyl methacrylate) and a polymer additive. The chosen substrates are Al, Cr, Cu, Pd, Ag, In, Au and Pb. Metal-cationization occurs for all the substrates except Al. The cationized molecule yields vary strongly with the considered molecule and substrate and they are not correlated with the metal ion yields. In addition, double cationization with two metal particles is observed in specific cases (Cu, Pd, Ag, and Au supports, styrene-based polymers with ∼13 repeat units or more). The combination of electronic structure calculations, molecular dynamics and Monte-Carlo simulations supports an emission scheme in which excited molecules and metal atoms recombine above the surface and decay via electron emission, thereby locking the complex in the ionic state.
UR - https://www.scopus.com/pages/publications/0036500874
UR - https://www.scopus.com/pages/publications/0036500874#tab=citedBy
U2 - 10.1016/S1387-3806(01)00554-1
DO - 10.1016/S1387-3806(01)00554-1
M3 - Article
AN - SCOPUS:0036500874
SN - 1387-3806
VL - 214
SP - 213
EP - 232
JO - International Journal of Mass Spectrometry
JF - International Journal of Mass Spectrometry
IS - 2
ER -