Photodepletion spectroscopy on charge resonance band of benzene clusters (C6H6)2+ and (C6H6)3+

Self Cite

Section: Introductionsupporting

confidence: 61%

Positive charge distribution in (benzene)1(toleune)2+ and (benzene)2(toluene)1+ studied by photodissociation spectroscopy

Inokuchi

Ohashi²,

Sekiya

et al. 2002

Self Cite

“…The character of the dimer ion core is expected to be nearly equal to the benzene dimer cation, in which the charge resonance occurs between the two equivalent benzene sites. 54 It is suggested that the charge resonance effect plays an essential role for the characteristic CH bond in the benzene dimer cation.…”

Section: B Benzene-armentioning

confidence: 99%

Infrared spectroscopy of CH stretching vibrations of jet-cooled alkylbenzene cations by using the “messenger” technique

Fujii¹,

Fujimaki²,

Ebata³

et al. 2000

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19] The dimer ion form is kept as a dimer ion core in some homo-molecular cluster ions, such as (benzene) n + . 13,14 However, the charge distribution of cluster ions is not predictable so easily on the basis of IE, PA, or EA. One curious manner on the charge distribution occurs for (CO 2 ) n − cluster anions, 16,20,21 which show switching of the ion core between n = 6 and 7 and between 13 and 14.…”

Section: Introductionmentioning

confidence: 99%

IR photodissociation spectroscopy of (OCS)n+ and (OCS)n− cluster ions: Similarity and dissimilarity in the structure of CO2, OCS, and CS2 cluster ions

Inokuchi

Ebata

2015

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 (2)A 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 (2)B2 electronic state.