Mass-Related Dynamical Barriers in Triatomic Reactions

نویسندگان

  • T. Yanao
  • W. S. Koon
  • J. E. Marsden
چکیده

A methodology is given to determine the effect of different mass distributions for triatomic reactions using the geometry of shape space. Atomic masses are incorporated into the non-Euclidean shape space metric after the separation of rotations. Using the equations of motion in this non-Euclidean shape space, an averaged field of velocity-dependent fictitious forces is determined. This force field, as opposed to the force arising from the potential, dominates branching ratios of isomerization dynamics of a triatomic molecule. This methodology may be useful for qualitative prediction of branching ratios in general triatomic reactions.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Mass effects and internal space geometry in triatomic reaction dynamics

The effect of the distribution of mass in triatomic reaction dynamics is analyzed using the geometry of the associated internal space. Atomic masses are appropriately incorporated into internal coordinates as well as the associated non-Euclidean internal space metric tensor after a separation of the rotational degrees of freedom. Because of the non-Euclidean nature of the metric in the internal...

متن کامل

Charge Stripping Reactions in Mass Spectrometry: A Study of Diatomic and Triatomic Inorganic and Organic Ions

Charge stripping reactions of the type m• + N--+ m2• + N + ehave been studied for a variety of diatomic and triatomic inorganic and organic ions. Ionisation energies of the m• ions, IE (m+--+ m2• ), have been determined, most of them for the first time. The method is fast and straightforward; it is applicable to both molecular and fragment .ions. The relative cross-sections for the charge strip...

متن کامل

Reaction dynamics through kinetic transition states.

The transformation of a system from one state to another is often mediated by a bottleneck in the system's phase space. In chemistry, these bottlenecks are known as transition states through which the system has to pass in order to evolve from reactants to products. The chemical reactions are usually associated with configurational changes where the reactants and products states correspond, e.g...

متن کامل

A Saddle in a Corner - A Model of Collinear Triatomic Chemical Reactions

A geometrical model which captures the main ingredients governing atom-diatom collinear chemical reactions is proposed. This model is neither near-integrable nor hyperbolic, yet it is amenable to analysis using a combination of the recently developed tools for studying systems with steep potentials and the study of the phase space structure near a center-saddle equilibrium. The nontrivial depen...

متن کامل

Smooth Hamiltonian Systems with Soft Impacts

In a Hamiltonian system with impacts (or “billiard with potential”), a point particle moves about the interior of a bounded domain according to a background potential and undergoes elastic collisions at the boundaries. When the background potential is identically zero, this is the hard-wall billiard model. Previous results on smooth billiard models (where the hard-wall boundary is replaced by a...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2005