Statistical dissociation of small carbon clusters: A phase space theory investigation

Fragmentation of small carbon clusters, a review

“…The simulation of kinetic energy distributions of fragments in the photodissociation of C n clusters was obtained in a satisfactory way using the PST theory by Choi et al [11]. The importance of considering all possible isomers for prediction of dissociation branching ratios of C 4 and C 5 was studied theoretically again with the PST theory by Calvo and Parneix [31]. Nevertheless, the most complete statistical fragmentation study of neutral carbon clusters was carried out by Diaz-Tendero et al [32] within the Weisskopf and MMMC (Microcanocical Metropolis Monte Carlo) models through many aspects: consideration of all possible dissociative channels, introduction of a large number of isomers, inclusion of rotational energy, examination of kinetics.…”

Fragmentation branching ratios of highly excited hydrocarbon molecules CnH and their cations CnH+ (n⩽4)

“…In such approach, the dynamics vanishes and the fragmentation is governed only by the amount of deposited energy. Statistical branching ratios can be derived from more or less approximated calculations such as Rice-Ramsperger-Kassel-Marcus (RRKM) 49 , Weisskopf 50 , Phase Space Theory (PST) 51 , Microcanonical Metropolis Monte Carlo (MMMC) 29 . Moreover, if the fragmentation is statistical, measurements of branching ratios with a given process can be extended to other processes.…”

Translational, rotational and vibrational energy partitioning in the sequential loss of carbon dimers from fullerenes

“…More recently, the PST method has also been used for modeling the unimolecular dissociation of carbon clusters. 30,31 In the present work the vibrational state densities required for the differential rates are obtained quantum mechanically from the harmonic frequencies of several stable isomers and electronic states of the various products. 11 The present approach allows the excess energy to be completely partitioned into its dissociation and kinetic components, involving translational, rotational, and vibrational degrees of freedom stored in both the large fullerene products and the emitted dimers.…”