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Experimental Approach to the Study of Anharmonicity in the Infrared Spectrum of Pyrene from 14 to 723 K
Shubhadip Chakraborty, Giacomo Mulas, Karine Demyk +1
Quantifying the effect of anharmonicity on the infrared spectrum of large molecules such as polycyclic aromatic hydrocarbons (PAHs) at high temperature is the focus of a number of…
Anharmonic vibrational spectroscopy of Polycyclic Aromatic Hydrocarbons (PAHs)
Giacomo Mulas, Cyril Falvo, Patrick Cassam-Chenaï +1
While powerful techniques exist to accurately account for anharmonicity in vibrational molecular spectroscopy, they are computationally very expensive and cannot be routinely emplo…
Visible photodissociation spectroscopy of PAH cations and derivatives in the PIRENEA experiment
F. Useli-Bacchitta, A. Bonnamy, G. Mulas +3
The electronic spectra of gas-phase cationic polycyclic aromatic hydrocarbons (PAHs), trapped in the Fourier Transform Ion Cyclotron Resonance cell of the PIRENEA experiment, have…
Time-dependent density functional study of the electronic spectra of oligoacenes in the charge states -1, 0, +1, and +2
G. Malloci, G. Mulas, G. Cappellini +1
We present a systematic theoretical study of the five smallest oligoacenes (naphthalene, anthracene, tetracene, pentacene, and hexacene) in their anionic,neutral, cationic, and dic…