Hydrogen dissociation of naphthalene cations: a theoretical study

Astronomy and Astrophysics – Astrophysics

Scientific paper

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Astrochemistry, Molecular Data, Ism: Molecules

Scientific paper

We present the computational results of removing mono and di-hydrogen
atoms from the naphthalene cation. Calculations are performed at the
B3LYP level with an extended basis. Two channels are studied, -H and
-H2, and these processes are discussed within the frame of
photodissociation of PAHs in the interstellar medium.

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