2009
DOI: 10.1063/1.3149780
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The structure of phenol-Arn (n=1,2) clusters in their S and S1 states

Abstract: The structures of the van der Waals bonded complexes of phenol with one and two argon atoms have been determined using rotationally resolved electronic spectroscopy of the S(1)<--S(0) transition. The experimentally determined structural parameters were compared to the results of quantum chemical calculations that are capable of properly describing dispersive interactions in the clusters. It was found that both complexes have pi-bound configurations, with the phenol-Ar(2) complex adopting a symmetric (1mid R:1)… Show more

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Cited by 38 publications
(76 citation statements)
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References 61 publications
(77 reference statements)
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“…transitions assigned to intermolecular modes. 1,2,4 The clear and background-free appearance of the origin band ensures the clean selection of the 1 : 1 cluster without any fragmentation from higher 1 : n clusters under the employed experimental conditions. This result is also confirmed by the TOF mass spectrum recorded under the same conditions by setting UV exc resonant to the S 1 origin, which does not exhibit any PhOH-Ar n with n 4 1 (see Fig.…”
Section: Methodsmentioning
confidence: 95%
See 1 more Smart Citation
“…transitions assigned to intermolecular modes. 1,2,4 The clear and background-free appearance of the origin band ensures the clean selection of the 1 : 1 cluster without any fragmentation from higher 1 : n clusters under the employed experimental conditions. This result is also confirmed by the TOF mass spectrum recorded under the same conditions by setting UV exc resonant to the S 1 origin, which does not exhibit any PhOH-Ar n with n 4 1 (see Fig.…”
Section: Methodsmentioning
confidence: 95%
“…Especially for the smaller Ar clusters with n = 1 and 2, rotationally resolved UV spectra have provided detailed intermolecular structural parameters. 4 In the cationic ground states (D 0 ), additional induction effects of the positive charge make the OH group the most stable interaction site. This interaction switching was derived from IR spectra of ionized clusters, PhOH + -Rg, generated by aggregation of Rg atoms following ionization of PhOH, which leads predominantly to the formation of the most stable isomer.…”
Section: Introductionmentioning
confidence: 99%
“…2 This journal is c the Owner Societies 2011 by a single isomer with an S 1 origin at DS 1 = À69 cm À1 , 31 which was later firmly identified as the (11) isomer by rotationally-resolved LIF spectroscopy. 29 The total binding energy of (11) for loss of both Ar ligands, extracted from its MATI spectrum as B775 cm…”
Section: Introductionmentioning
confidence: 99%
“…A large number of spectroscopic 3,7,[26][27][28][29][30][31][32][33] and advanced quantum chemical studies 29,[34][35][36] demonstrate that neutral PhOH-Ar has a p-bonded (10) equilibrium structure in S 0 . Fig.…”
Section: Introductionmentioning
confidence: 99%
“…Phenol-Ar 2 provides a recent example where the S 1 vibrational structure of an aromatic-Rg 2 trimer has been observed. 22,23 The formulae provided by Bieske et al allow the six FBAr 2 (1|1) intermolecular vibrational frequencies to be calculated from the three FB-Ar intermolecular frequencies and various constants associated with the complex. 15 (The six FBAr 2 (1|1) intermolecular modes are the symmetric and asymmetric motions associated with the long axis bend, short axis bend, and the stretch -see Table IV.)…”
Section: B the Fb-ar 2 (1|1) Van Der Waals Vibrationsmentioning
confidence: 99%