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• W1999747774 endingPage "1965" @default.
• W1999747774 startingPage "1965" @default.
• W1999747774 abstract "Anionic lanthanide chloride clusters, LnnCl3n+1−, were produced by electrospray ionization (ESI) of LnCl3 in isopropanol, where Ln = La–Lu (except Pm); the clusters were characterized using a quadrupole ion trap mass spectrometer. High-abundance “magic number” clusters were apparent at n = 4 for the early Ln (La–Sm), and at n = 5 for the late Ln (Dy–Lu). Density functional theory computations of LanCl3n+1− and LunCl3n+1− clusters (n = 1–6) indicate that the clusters with n = 4–6 are rings with a central chlorine atom. Computed structures show six-coordinate Ln in distorted octahedral sites in “magic number” La4Cl13− and Lu5Cl16−, which have particularly large dissociation energies. For lanthanum, larger anionic chloride clusters with multiple charges of down to −5 were observed; their fragmentation by collision-induced dissociation in the ion trap revealed La4Cl13− as a common product. Gas-phase hydrolysis to LnnCl3n+1−y(OH)y− (y = 1, 2) was prevalent for the late lanthanides, but only for small clusters, n = 2 or 3; larger clusters were evidently resistant to gas-phase hydrolysis. ESI of selected LnBr3 and LnI3 resulted in LnnX3n+1− clusters (X = Br, I)—in contrast to LnnCl3n+1− clusters, the only observed (minor) high-abundance clusters were La4Br13− and Ce4Br13−." @default.
• W1999747774 created "2016-06-24" @default.
• W1999747774 creator A5013277909 @default.
• W1999747774 creator A5076282881 @default.
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• W1999747774 date "2012-01-01" @default.
• W1999747774 modified "2023-09-25" @default.
• W1999747774 title "Gas-phase lanthanide chloride clusters: relationships among ESI abundances and DFT structures and energetics" @default.
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• W1999747774 doi "https://doi.org/10.1039/c2cp22707j" @default.
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