Ultraviolet spectra of benzene clusters

Langridge‐Smith, Patrick R. R.; Brumbaugh, Donald V.; Haynam, Christopher A.; Levy, Donald H.

doi:10.1021/j150625a004

Cited by 129 publications

(56 citation statements)

References 2 publications

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“…have absorption in the same region, fragmentation has been found to be minimal. Moreover, the absorption intensity of (tolueoe) 3 and (toluene) 4 for the beam conditions employed is found to be at least a factor of ton smaller than that found for (toluene) 2 . The relative positions of the major absorption bands for (toluene) 2 are listed in Table VT.…”

Section: Miscellaneous Experimentsmentioning

confidence: 56%

“…Although the benzene diner has been examined in the Jot tkrough 2-color NS, 8 1 9 fluorescene, 4 and NBER experiments, 6 "7 results for the toluenebenzene diner suggest that the previous determination of the benzene diner * conformation and excited state dynamics night well require revision. The Discussion section will deal with the interpretation of these data in terms of excitation exchange theory.…”

Section: B Beazene Dinermentioning

confidence: 99%

“…(tetrazine) 2 , 2 (benzoic acid) 2 , 3 (benzene) 2 , 4 and (benzene-tetrazine) $ have been examined by optical spectroscopy, and molecule beam electric ressonance E(WUeR) studies have been reported for (benzene) 2 "7 (hezsfluorobeuzon) 2 , 7 and (benzene-hexafluorobenzene). 7 Photoionization time of flight mass spectroscopy (TOfFS) studies have thus far only been reported for -(benzene)2 .…”

Section: Introductionmentioning

confidence: 99%

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Dimers of aromatic molecules: (Benzene)2, (toluene)2, and benzene–toluene

Law¹,

Schauer²,

Bernstein³

1984

The Journal of Chemical Physics

210

137

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The optical absorption spectra of the first excited singlet states of the benzene, toluene, and toluene–benzene dimers, created in a supersonic molecular jet, are reported. The absorption spectra are detected through two-color time of flight mass spectroscopy; this method eliminates fragmentation of dimers and higher clusters and the dimer spectra are uniquely observed. The benzene dimer observed in this experiment is suggested to have a parallel stacked and displaced configuration of C2h symmetry. Both the toluene and toluene–benzene dimers have two configurations: parallel stacked and displaced [based on (benzene)2] and perpendicular. (Benzene)2, (toluene)2, and toluene–benzene form excimers in the excited state for the parallel stacked displaced configurations. The transformation of (benzene)2 to the excimer takes place at the 00 with a ∼0 cm−1 barrier while the excimer is formed for toluene–benzene with a ∼900 cm−1 barrier. An exciton analysis of the (benzene)2 000 and 610 yields M12, the excitation exchange interaction, equal to ∼1.6 cm−1.

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Section: Miscellaneous Experimentsmentioning

confidence: 56%

Section: B Beazene Dinermentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Dimers of aromatic molecules: (Benzene)2, (toluene)2, and benzene–toluene

Law¹,

Schauer²,

Bernstein³

1984

The Journal of Chemical Physics

210

137

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“…[5][6][7] The vibronic spectrum of supersonically cooled (Bz) 2 has been investigated since the 1980s using mass-selective resonant two-photon ionization (R2PI) spectroscopy. [8][9][10][11][12][13][14][15][16][17][18][19][20] These experiments identified the 0 0 0 band of the (Bz) 2 S 0 → S 1 transition at 38 046 cm −1 , red-shifted by 40 cm −1 from the S 0 → S 1 0 0 0 band of Bz monomer at 38 086 cm −1 . The latter transition is strictly symmetry-forbidden as a one-photon electric-dipole transition, [21][22][23] so the question arises how the 0 0 0 (S 1 ) band of (Bz) 2 gains intensity.…”

Section: Molecular-beam Electric-deflection Measurements Bymentioning

confidence: 87%

“…8 While the fluorescence quantum yield of (Bz) 2 is low, its ionization efficiency is high when compared to those of the (Bz) 3 and (Bz) 4 clusters produced in the same supersonic-jet expansion. 8,9,18 This was interpreted in terms of vertical excitation of (Bz) 2 into a T-shaped S 1 state local minimum, followed by rapid rearrangement to a stacked-parallel structure corresponding to the lowest excimer state of 1 B 1g symmetry. 8,9,18 Since the two Bz monomers in (Bz) 2 should give rise to two transitions corresponding to the S 0 → S 1 and the S 0 → S 2 excitations of (Bz) 2 , Schlag and co-workers subsequently FIG.…”

Section: Molecular-beam Electric-deflection Measurements Bymentioning

confidence: 99%

The elusive S2 state, the S1/S2 splitting, and the excimer states of the benzene dimer

Balmer

Trachsel

Avoird

et al. 2015

The Journal of Chemical Physics

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We observe the weak S 0 → S 2 transitions of the T-shaped benzene dimers (Bz) 2 and (Bz-d 6 ) 2 about 250 cm −1 and 220 cm −1 above their respective S 0 → S 1 electronic origins using two-color resonant two-photon ionization spectroscopy. Spin-component scaled (SCS) second-order approximate coupled-cluster (CC2) calculations predict that for the tipped T-shaped geometry, the S 0 → S 2 electronic oscillator strength f el (S 2 ) is ∼10 times smaller than f el (S 1 ) and the S 2 state lies ∼240 cm −1 above S 1 , in excellent agreement with experiment. The S 0 → S 1 (ππ * ) transition is mainly localized on the "stem" benzene, with a minor stem → cap charge-transfer contribution; the S 0 → S 2 transition is mainly localized on the "cap" benzene. The orbitals, electronic oscillator strengths f el (S 1 ) and f el (S 2 ), and transition frequencies depend strongly on the tipping angle ω between the two Bz moieties. The SCS-CC2 calculated S 1 and S 2 excitation energies at different T-shaped, stacked-parallel and parallel-displaced stationary points of the (Bz) 2 ground-state surface allow to construct approximate S 1 and S 2 potential energy surfaces and reveal their relation to the "excimer" states at the stacked-parallel geometry. The f el (S 1 ) and f el (S 2 ) transition dipole moments at the C 2v -symmetric T-shape, parallel-displaced and stacked-parallel geometries are either zero or ∼10 times smaller than at the tipped T-shaped geometry. This unusual property of the S 0 → S 1 and S 0 → S 2 transition-dipole moment surfaces of (Bz) 2 restricts its observation by electronic spectroscopy to the tipped and tilted T-shaped geometries; the other ground-state geometries are impossible or extremely difficult to observe. The S 0 → S 1 /S 2 spectra of (Bz) 2 are compared to those of imidazole · (Bz) 2 , which has a rigid triangular structure with a tilted (Bz) 2 subunit. The S 0 → S 1 / S 2 transitions of imidazole-(benzene) 2 lie at similar energies as those of (Bz) 2 , confirming our assignment of the (Bz) 2 S 0 → S 2 transition. C 2015 AIP Publishing LLC. [http://dx

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Infrared Vibrational Predissociation Spectroscopy of Small Size‐Selected Clusters

Huisken¹

1991

Advances in Chemical Physics

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Ultraviolet spectra of benzene clusters

Cited by 129 publications

References 2 publications

Dimers of aromatic molecules: (Benzene)2, (toluene)2, and benzene–toluene

Dimers of aromatic molecules: (Benzene)2, (toluene)2, and benzene–toluene

The elusive S2 state, the S1/S2 splitting, and the excimer states of the benzene dimer

Infrared Vibrational Predissociation Spectroscopy of Small Size‐Selected Clusters

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