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Dissociation of Benzene Molecule in a
Strong Laser Field
M. E. Sukharev
General Physics Institute of RAS
117942, Moscow, Russia
Dissociation of benzene molecule in a strong low-frequency linearly polarized laser field is considered theoretically under the conditions of recent experiments. Analogy with the dissociation of diatomic molecules has been found. The dissociation probability of benzene molecule has been derived as a function of time. The three-photon dissociate process is shown to be realized in experiments.
The number of articles devoted to the interaction of molecules with a strong laser field increased considerably in recent years. The main features of interaction between diatomic molecules and a laser radiation were considered in a great number of experimental [1-5] and theoretical [6-9] papers. Classical and quantum investigations of spatial alignment of diatomic molecules and their molecular ions in a strong laser field, as well as ionization and dissociation of these molecules and their molecular ions account for physical pictures of all processes.
However, when considering complex organic molecules, we observe physical phenomena to be richer, and they are not thoroughly investigated. Most of results obtained for diatomic molecules can be generalized to the multi-atomic molecules. This short paper contains the results of theoretical derivations for dissociation of benzene molecule CH in the field of linearly polarized Ti:Sapphire laser. Data were taken from experimental results by Chin’s group, Ref. [4]. We use the atomic system of units throughout the paper.
Let us consider the benzene molecule CHin the field of Ti:Sapphire laser with the wavelength =400 nm, pulse length =300 fs and maximum intensity Imax=21014 W/cm. According to Ref. [4] first electron is ejected from this neutral molecule and then the dissociation of CH+-ion occurs.
The most probable channel for decay of this ion is the separation into the equal parts :
Of course, there is another channel for decay of CH+-ion which includes the ejection of the second electron and subsequent Coulomb explosion of the CH++-ion. We do not consider the latter process.
The channel (1) is seen to be similar to the dissociation of the hydrogen molecular ion considered in Ref. [2]. Indeed, the model scheme of energy levels for CH+-ion (see Ref. [4]) reminds the model scheme of energy levels for H+ [2] containing only two low-lying electronic levels: 1g (even) and 1u (odd).
Therefore we consider the dissociation process of CH+-ion analogously to that for H+-ion (see Fig. 1). The benzene molecular ion has the large reduced mass with respect to division into equal parts. Hence, its wave function is well localized in space (see Fig. 2) and therefore we can apply classical mechanics for description of the dissociation process (1). However, the solution of Newton equation with the effective potential (see below) does not produce any dissociation, since laser pulse length is too small for such large inertial system. In addition to, effective potential barrier exists during the whole laser pulse and tunneling of the molecular fragment is impossible due to its large mass ( see Fig. 2). Thus, we should solve the dissociation problem in the frames of quantum mechanics.
The ground even electronic term of CH+-ion is presented here in the form of the well-known Morse potential with parameters =2k and De=6.2 эВ, where k is approximated by the elastic constant of C-C coupling in the CH-molecule and De is the dissociation potential for the C-molecule. The interaction of the molecular ion with the laser field is given by expression (see. Ref. [9])
Where the strength envelope of the laser radiation is chosen in the simple Gaussian form F(t)=Fexp(-t/2) and R internuclear separation between the fragments CH+ and CH, is the laser frequency and is the laser pulse length. The valuesint takes into account the repulsion between the involved ground even electronic term and the first excited odd repulsive electronic term.
Thus, the Hamiltonian of the concerned system is
The kinetic energy operator being of the form
Where Re is the equilibrium internuclear separation. When calculating we make use of Re=1.39 A.