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• W2152719972 abstract "Infrared photodissociation (IRPD) spectra of (OCS)n+ and (OCS)n− (n = 2–6) cluster ions are measured in the 1000–2300 cm−1 region; these clusters show strong CO stretching vibrations in this region. For (OCS)2+ and (OCS)2−, we utilize the messenger technique by attaching an Ar atom to measure their IR spectra. The IRPD spectrum of (OCS)2+Ar shows two bands at 2095 and 2120 cm−1. On the basis of quantum chemical calculations, these bands are assigned to a C2 isomer of (OCS)2+, in which an intermolecular semi-covalent bond is formed between the sulfur ends of the two OCS components by the charge resonance interaction, and the positive charge is delocalized over the dimer. The (OCS)n+ (n = 3–6) cluster ions show a few bands assignable to “solvent” OCS molecules in the 2000–2080 cm−1 region, in addition to the bands due to the (OCS)2+ ion core at ∼2090 and ∼2120 cm−1, suggesting that the dimer ion core is kept in (OCS)3–6+. For the (OCS)n− cluster anions, the IRPD spectra indicate the coexistence of a few isomers with an OCS− or (OCS)2− anion core over the cluster range of n = 2–6. The (OCS)2−Ar anion displays two strong bands at 1674 and 1994 cm−1. These bands can be assigned to a Cs isomer with an OCS− anion core. For the n = 2–4 anions, this OCS− anion core form is dominant. In addition to the bands of the OCS− core isomer, we found another band at ∼1740 cm−1, which can be assigned to isomers having an (OCS)2− ion core; this dimer core has C2 symmetry and 2A electronic state. The IRPD spectra of the n = 3–6 anions show two IR bands at ∼1660 and ∼2020 cm−1. The intensity of the latter component relative to that of the former one becomes stronger and stronger with increasing the size from n = 2 to 4, which corresponds to the increase of “solvent” OCS molecules attached to the OCS− ion core, but it suddenly decreases at n = 5 and 6. These IR spectral features of the n = 5 and 6 anions are ascribed to the formation of another (OCS)2− ion core having C2v symmetry with 2B2 electronic state." @default.
• W2152719972 created "2016-06-24" @default.
• W2152719972 creator A5038939414 @default.
• W2152719972 creator A5051156743 @default.
• W2152719972 date "2015-06-03" @default.
• W2152719972 modified "2023-10-03" @default.
• W2152719972 title "IR photodissociation spectroscopy of (OCS)<i>n</i>+ and (OCS)<i>n</i>− cluster ions: Similarity and dissimilarity in the structure of CO2, OCS, and CS2 cluster ions" @default.
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• W2152719972 doi "https://doi.org/10.1063/1.4921991" @default.
• W2152719972 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26049495" @default.
• W2152719972 hasPublicationYear "2015" @default.
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