Effect of rotational excitation on stereodynamics for the N(2D)+H_(2)(v =0,j =0 - 5)→NH(v',j')+H collision reactions is investigated by employing the quasiclassical trajectory method.Based on an accurate 12 A...Effect of rotational excitation on stereodynamics for the N(2D)+H_(2)(v =0,j =0 - 5)→NH(v',j')+H collision reactions is investigated by employing the quasiclassical trajectory method.Based on an accurate 12 A″ potential energy surface,three angular distributions P(θr),P((φ)r),P(θr,(φ)r),and polarized-dependent differential cross section 2π/σ dσ00/dwt are calculated at a collision energy of 5.1 kcal/mol.It is found that the P(θr) distribution has a distinct peak at about θr =90°.The P((φ)r) distribution has a small peak at about (φ)r =270° and no peak at about (φ)r =90°.This implies that the product angular momentum j' is not only aligned perpendicular to k,but also orientated to the negative direction of the y axis.The product rotational alignment and orientation become increasingly weaker with an increase of the rotational quantum number j of H_(2).Analysis of trajectory propagation demonstrates that the title collision reaction has a dominant indirect insertion mechanism and a minor direct H-abstraction mechanism.展开更多
The multiphoton rotation-vibration energy absorption of diatomic molecules in infrared laser fields is analytically studied using the algebraic approach.The analytical expression of the rotation-vibration transition p...The multiphoton rotation-vibration energy absorption of diatomic molecules in infrared laser fields is analytically studied using the algebraic approach.The analytical expression of the rotation-vibration transition probability is given.The long-time average absorbed energy spectra and the average number of photons absorbed by the molecule are discussed.The results show that both molecular orientation and molecular anharmonicity are important factors in the rotation-vibration multiphoton absorption.展开更多
基金Supported by the National Natural Science Foundation of China under Grant Nos 21003062 and 11147019.
文摘Effect of rotational excitation on stereodynamics for the N(2D)+H_(2)(v =0,j =0 - 5)→NH(v',j')+H collision reactions is investigated by employing the quasiclassical trajectory method.Based on an accurate 12 A″ potential energy surface,three angular distributions P(θr),P((φ)r),P(θr,(φ)r),and polarized-dependent differential cross section 2π/σ dσ00/dwt are calculated at a collision energy of 5.1 kcal/mol.It is found that the P(θr) distribution has a distinct peak at about θr =90°.The P((φ)r) distribution has a small peak at about (φ)r =270° and no peak at about (φ)r =90°.This implies that the product angular momentum j' is not only aligned perpendicular to k,but also orientated to the negative direction of the y axis.The product rotational alignment and orientation become increasingly weaker with an increase of the rotational quantum number j of H_(2).Analysis of trajectory propagation demonstrates that the title collision reaction has a dominant indirect insertion mechanism and a minor direct H-abstraction mechanism.
基金by the National Natural Science Foundation of China under Grant Nos 10874102 and 10947103the Foundation for Outstanding Young Scientist in Shandong Province(No 2008BS01017).
文摘The multiphoton rotation-vibration energy absorption of diatomic molecules in infrared laser fields is analytically studied using the algebraic approach.The analytical expression of the rotation-vibration transition probability is given.The long-time average absorbed energy spectra and the average number of photons absorbed by the molecule are discussed.The results show that both molecular orientation and molecular anharmonicity are important factors in the rotation-vibration multiphoton absorption.
