Among the interactions which govern NMR spectra, spin-spin coupling interactions provide the most direct form of structural information which is of interest to chemists. Dipolar coupling may be used to measure internuclear distances directly and J coupling may be used to identify bonding interactions and provide insights into the nature of the bonds. It is well known that the presence of a quad...

Abstract Ion-pair (IP) states are the superexcited of neutral molecule that dissociate as a pair positive and negative ions. These generally present near ionization continuum molecule. IP can be accessed by using photoexcitation or electron collision technique. Different techniques widely used over years to study threshold (threshold production spectroscopy) dynamics (IP imaging states. However...

Universal collision rate constants are calculated for ultracold collisions of two like bosonic or fermionic heteronuclear alkali-metal dimers involving the species Li, Na, K, Rb, or Cs. Universal collisions are those for which the short range probability of a reactive or quenching collision is unity such that a collision removes a pair of molecules from the sample. In this case, the collision r...

Collisions of I2 in the E electronic state with rare gas atoms result in electronic energy transfer to the D, beta, and D' ion-pair electronic states. Rate constants for each of these channels have been measured when I2 is initially prepared in the J = 55, nu = 1 and 2 levels in the E state. The rate constants and effective hard sphere collision cross sections confirm the trends observed when n...

Collisions of I2 in the E(0(g)+) electronic state with CF4 molecules induce electronic energy transfer to the nearby D, beta, and D' ion-pair states. Simulations of dispersed fluorescence spectra reveal collision-induced electronic energy transfer rate constants and final vibrational state distributions within each final electronic state. In comparison with earlier reports on I2(upsilon(E)=0-2)...

The reaction of ground-state cyano radicals, CN(X(2)Σ(+)), with the simplest polyene, 1,3-butadiene (C4H6(X(1)Ag)), is investigated to explore probable routes and feasibility to form pyridine at ultralow temperatures. The isomerization and dissociation channels for each of the seven initial collision complexes are characterized by utilizing the unrestricted B3LYP/cc-pVTZ and the CCSD(T)/cc-pVTZ...

Langevin described a model for the interaction between an ion and a neutral nearly a century ago and since then, many modifications have been introduced to adjust for specific circumstances. This work discusses the induced dipole–induced dipole interaction between an ion and a neutral without a permanent dipole and introduces an anisotropic adjustment. A point polarizable ion model (PPI) and an...

Collisional energy transfer of NH2 in its electronically excited state à A1 is investigated with time-resolved Fourier transform emission spectroscopy. NH2 is produced by photodissociation of NH3 and relaxed to low rotational levels before excitation into the electronically excited state. Originating from collisions with NH3 , rate constants for total collisional removal and state-to-state rate...

A model for ion movement through specialized sites in the plasma membrane is presented and analyzed using techniques from nonequilibrium kinetic theory. It is assumed that ions traversing these specialized regions interact with membrane molecules through central conservative forces. The membrane molecules are approximated as massive spherical scattering centers so that ionic fractional energy l...