Electronic structure of the NaN2 and NaC2H2 collision complexes: Experiment and theory

Abstract

High resolution electronic spectra of 7-azaindole and its Ar atom van der Waals complex J. Chem. Phys. 123, 094306 (2005); 10.1063/1.1990119 Penning ionization electron spectroscopy of C 6 H 6 by collision with He * (2 3 S) metastable atoms and classical trajectory calculations: Optimization of ab initio model potentials J. Chem. Phys. 122, 044303 (2005); 10.1063/1.1834900Collision-energy-resolved Penning ionization electron spectroscopy of p-benzoquinone: Study of electronic structure and anisotropic interaction with He * (2 3 S ) metastable atoms

Intrinsic Dinitrogen Activation at Bare Metal Atoms

“…There is also experimental evidence for an interaction between Na atoms and N 2 . The optical excitation of the collision pair [NaN 2 ] has been measured, [68] and the data revealed differences of electronic structures between the [NaN 2 ] and [Na(C 2 H 2 )] collision complexes. The cationic complex [NaN 2 ]…”

Intrinsische Stickstoff‐Aktivierung an “nackten” Metallatomen

“…Es gibt auch experimentelle Hinweise auf eine Wechselwirkung zwischen Na‐Atomen und N 2 . Vom Kollisionspaar [NaN 2 ] wurde nämlich die optische Anregung gemessen 68. Die Daten deckten Unterschiede zwischen den elektronischen Strukturen der [NaN 2 ]‐ und [Na(C 2 H 2 )]‐Kollisionspaare auf.…”

Collisions of excited Na atoms with N2, C2H2and N2O molecules. Surface-hopping calculation of the Na(3p) fine structure population

“…Optical collisions are scattering processes where the projectile is optically excited during its interaction with the target. This paper is concerned with the optical collision experiments of Na atoms with a series of molecules which have been carried out in the past few years by Grosser and coworkers [1][2][3] following similar experiments with atomic targets. 1,4,5 The experiments can briefly be explained as follows.…”

“…The results are presented as polar diagrams of the probability as a function of an orientation angle; they are analysed with the aid of numerical simulations using quantum chemically calculated potential surfaces and classical trajectories. 2,3,6 A related experiment consists in measuring the ratio of excited Na atoms leaving the complex in the lower 3p 1/2 fine structure state compared to the sum 3p 1/2 þ 3p 3/2 , the two levels being separated by spin-orbit interaction. 3,5,7 Under the conditions the experiments have been carried out, the non-zero results for this ratio can be explained only by assuming non-adiabatic coupling effects between different excited electronic states.…”