Thermolysis mechanism ofN-acetylpropanamide

Abstract

ABSTRACT:The thermolysis mechanism of N-acetylpropanamide was investigated Ž . using a hybrid density functional theory DFT B3LYP method. Two mechanisms, methyl proton transfer and methylene proton transfer, were found for the reaction. We found that this reaction is a concerted reaction: The reactant produces a weakly interacting intermediate at the first, then the intermediate decomposes to products. The activation barrier for methyl proton transfer is about 11.2 kJ mol y1 lower than that of methylene Ž . proton transfer. The character of intrinsic reaction coordinate IRC reveals that the process from the reactant to the intermediate is divided into two stages: The first stage involves mainly proton transfer and energy increasing; the second stage involves mainly breaking of the nitrogen᎐carbon bond.

Fermion Superfluids of Nonzero Orbital Angular Momentum near Resonance

“…Whether this can be achieved within current technology remains to be seen. The fact that the width of p-resonances can be resolved in recent experiments [3] is very encouraging. In any case, the difficulty is not an intrinsic one.…”

“…While most experiments on Feshbach resonance focus on s-wave scattering, there are many Feshbach resonances with non-zero momentum accessible by the same energy tuning method using external magnetic fields. Recently, Salomon's group at ENS has reported evidence of reversible production of p-wave molecules by sweeping a Fermi gas of 6 Li through a p-resonance [3]. It is therefore conceivable that p-wave or even higher angular momentum fermion superfluids can be realized in the future.…”

Multimode Uncertainty Relations and Separability of Continuous Variable States

“…Much scope is left to such a longstanding [14] kind of approach, in particular concerning the entanglement characterization of CV states. The analysis of Gaussian states based on symplectic invariants has provided remarkable insight into the entanglement properties of two-mode states [27] and could be, employing the techniques developed in this paper, extended to multimode settings and to the analysis of multipartite continuous variable entanglement [7,24,25,28], which has been lately drawing considerable attention [26,29,30,31]. At a more fundamental level, this paper is intended to shed further light on the constraints imposed by quantum mechanics on second moments of canonical operators and on the symplectic structure underlying the evolution of bosonic modes under quadratic Hamiltonians.…”

Preparation of Genuinely Entangled Six-Atom State via Cavity Quantum Electrodynamics

“…Very recently, a scheme for preparing this state in an ion-trap system has been presented. [50] In this paper we will put forward a cavity QED scheme for preparing the genuinely entangled state on six two-level atoms. The scheme is based on the interaction of atoms with single-mode cavities, driven additionally by classical fields.…”