Condensed Aromatics. Part XV. Chrysene

Cyvin, Bjørg N.; Klæboe, P.; Whitmer, John C.; Cyvín, S. J.

doi:10.1515/zna-1982-0309

Cited by 18 publications

(3 citation statements)

References 12 publications

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“…Some recent works contain complete normal coordinate analyses for both in-plane and out-of-plane vibrations of phenanthrene [24], fluoranthene [25], chrysene [26], triphenylene [27], azulene [28] and perylene [29].…”

Section: Introductionmentioning

confidence: 99%

Condensed Aromatics. Part XX. Coronene

Cyvín

Cyvin

Brünvoll

et al. 1982

Zeitschrift Für Naturforschung A

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The molecular vibrations of coronene, both in-plane and out-of-plane, are studied. The simple Hückel molecular orbitals are derived and the CC bond oiders calculated. The bond orders are used to fix the CC stretching force constants. A complete set of independent symmetry coordinates is constructed. The in-plane vibrational frequencies are calculated by (a) the five-parameter approximation and (b) the Califano-Neto method; those of the out-of-plane vibrations only by the five-parameter approximation. The calculated frequencies are compared with observed values and previous calculations. A few new Raman bands are reported along with the presumably most complete set of infrared frequencies reported so far. A complete assignment of the infraredactive (Eiu and A2u) fundamentals is proposed. A majority of the Raman-active frequencies (Aig, Eig and E2g) are also assigned, using Raman, fluorescence and phosphorescence spectra.

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Section: Introductionmentioning

confidence: 99%

Condensed Aromatics. Part XX. Coronene

Cyvín

Cyvin

Brünvoll

et al. 1982

Zeitschrift Für Naturforschung A

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“…We attribute this difference to the underlying electronic structure of these two material classes. For chrysene and picene, calculations have shown that there are several unoccupied electronic levels very close in energy, [31][32][33][34] while for tetracene and pentacene, the splitting of the two individual lowest unoccupied levels is much larger. 35,36 Consequently, the addition of more than two electrons to the latter requires substantially more energy, which renders higher doping levels unfavorable.…”

Section: Resultsmentioning

confidence: 99%

Impact of potassium doping on the electronic structure of tetracene and pentacene: An electron energy-loss study

Roth

Knupfer

2015

The Journal of Chemical Physics

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We report the doping induced changes of the electronic structure of tetracene and pentacene probed by electron energy-loss spectroscopy in transmission. A comparison between the dynamic response of undoped and potassium-intercalated tetracene and pentacene emphasizes the appearance of a new excitation feature in the former gap upon potassium addition. Interestingly, the momentum dependency of this new excitation shows a negative dispersion. Moreover, the analysis of the C 1s and K 2p core-level excitation results in a significantly lower doping level compared to potassium doped picene, a recently discovered superconductor. Therefore, the present electronic structure investigations open a new pathway to better understand the exceptional differences between acenes and phenacene and their divergent behavior upon alkali doping.

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“…In general, PAHs show a dominant band at about 3.28 microns, corresponding to a C-H stretch, in addition to a number of weaker bands between 3.1 and 3.6 microns which are overtone and combination bands involving lower frequency fundamentals. (Bellamy, 1958, Cyvin, et al 1982a,b, Herzberg, 1968. Figure 1 shows that the 6.2 micron emission band (which corresponds to a C-C stretching vibration in PAHs) is as characteristic of polycyclic aromatic species as is the 3.3 micron band (LP; Bellamy, 1958).…”

Section: The Vibrational Spectroscopy Of Pahsmentioning

confidence: 99%

Infrared Absorption and Emission Characteristics of Interstellar PAHs

Allamandola

Tielens

Barker

1987

Interstellar Processes

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ABSTRACT. The mid-infrared interstellar emission spectrum with features at 3050, 1610, 1300, 1150, and 885 cm" 1 (3.28, 6.2, 7.7, 8.7 and 11.3 microns) is discussed in terms of the Polycyclic Aromatic Hydrocarbon (PAH) hypothesis. This hypothesis is based on the suggestive, but inconclusive comparison between the interstellar emission spectrum with the infrared absorption and Raman spectra of a few PAHs. The fundamental vibrations of PAHs and PAH-like species which determine the IR and Raman properties are discussed. Interstellar IR band emission is due to relaxation from highly vibrationally excited PAHs which have been excited by ultraviolet photons. The excitation/emission process is described in general and the IR fluorescence from one PAH, chrysene, is traced in detail. Generally, there is sufficient energy to populate several yibrational levels in each mode. Molecular vibrational potentials are anharmonic and emission from these higher levels will fall at lower frequencies and produce weak features to the red of the stronger fundamentals. This process is also described and can account for some spectroscopic details of the interstellar emission spectra previously unexplained. Analysis of the interstellar spectrum shows that PAHs containing between 20 and 30 carbon atoms are responsible for the emission.

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Condensed Aromatics. Part XV. Chrysene

Cited by 18 publications

References 12 publications

Condensed Aromatics. Part XX. Coronene

Condensed Aromatics. Part XX. Coronene

Impact of potassium doping on the electronic structure of tetracene and pentacene: An electron energy-loss study

Infrared Absorption and Emission Characteristics of Interstellar PAHs

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