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• W4256303984 abstract "Guided ion beam tandem mass spectrometry was used to study the reactions of the atomic lanthanide praseodymium cation (Pr+) with H2, D2, and HD as a function of collision energy. Modeling the kinetic-energy-dependent endothermic reactions to form PrH+ (PrD+) yields a 0 K bond dissociation energy (BDE) of 2.10 ± 0.05 eV for PrH+. Quantum chemical calculations were performed for PrH+ at the B3LYP, BHLYP, PBE0, and coupled-cluster with single, double, and perturbative triple levels of theory, and they overestimate the PrH+ experimental BDE by 0.06 –0.28 eV. The branching ratio of the PrH+ and PrD+ products in the HD reaction suggests that the reaction occurs via a direct reaction mechanism with short-lived intermediates. This is consistent with the theoretical calculations for the relaxed potential energy surfaces of PrH2+, where no strongly bound dihydride intermediates were found. The reactivity and PrH+ BDE are compared with previous results for lanthanide metal cations (La+, Ce+, Sm+, Gd+, and Lu+). Periodic trends across the lanthanide series and insights into the role of the electronic configuration on metal-hydride bond strength are discussed." @default.
• W4256303984 created "2022-05-12" @default.
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• W4256303984 date "2020-10-12" @default.
• W4256303984 modified "2023-09-27" @default.
• W4256303984 title "Praseodymium cation (Pr+) reactions with H2, D2, and HD: PrH+ bond energy and mechanistic insights from guided ion beam and theoretical studies" @default.
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• W4256303984 cites W1969588760 @default.
• W4256303984 cites W1969694122 @default.
• W4256303984 cites W1973519836 @default.
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• W4256303984 cites W2016482275 @default.
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• W4256303984 cites W2023271753 @default.
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• W4256303984 cites W2023513703 @default.
• W4256303984 cites W2024712700 @default.
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• W4256303984 cites W2033050479 @default.
• W4256303984 cites W2035287960 @default.
• W4256303984 cites W2036963489 @default.
• W4256303984 cites W2039512668 @default.
• W4256303984 cites W2044046954 @default.
• W4256303984 cites W2045411127 @default.
• W4256303984 cites W2045759213 @default.
• W4256303984 cites W2052179597 @default.
• W4256303984 cites W2052312990 @default.
• W4256303984 cites W2073562665 @default.
• W4256303984 cites W2074686003 @default.
• W4256303984 cites W2075675733 @default.
• W4256303984 cites W2078843151 @default.
• W4256303984 cites W2084058629 @default.
• W4256303984 cites W2084369971 @default.
• W4256303984 cites W2084654919 @default.
• W4256303984 cites W2085079540 @default.
• W4256303984 cites W2089116038 @default.
• W4256303984 cites W2089708541 @default.
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• W4256303984 cites W2143981217 @default.
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• W4256303984 cites W2151220474 @default.
• W4256303984 cites W2167812127 @default.
• W4256303984 cites W2252772914 @default.
• W4256303984 cites W2312449316 @default.
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• W4256303984 cites W2345354405 @default.
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• W4256303984 doi "https://doi.org/10.1063/5.0027854" @default.
• W4256303984 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33086820" @default.
• W4256303984 hasPublicationYear "2020" @default.
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