Hyperfine coupling and pseudorotational motion interaction in Na[sub 3].

Autor: Coudert, L. H., Ernst, W. E., Golonzka, O.
Předmět:
Zdroj: Journal of Chemical Physics; 10/15/2002, Vol. 117 Issue 15, p7102, 15p, 2 Diagrams, 8 Charts, 7 Graphs
Abstrakt: Hyperfine patterns calculations are carried out for the Na[SUB3] cluster with a view towards understanding the microwave measurements which were performed for three rotational transitions belonging to the ground &Xtild; electronic state. The calculations take simultaneously into account the pseudorotational motion, the spin-rotation coupling, and the magnetic electron spin-nuclear spin hyperfine coupling. Matching calculated and observed patterns suggests that the cluster is characterized by small pseudorotational tunneling and spin-rotation splittings, some amount of Fermi contact interaction at the two terminal nuclei, and significant dipolar spin-nuclear spin coupling for the central atom. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index