EMAIL THIS PAGE TO A FRIEND

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Structure and vibrations of BenOn (n=3-10) clusters.


PMID 16945574

Abstract

The structure and harmonic vibrations of Be(n)O(n) (n=3-10) clusters have been investigated using density functional theory. All structures are found to be cumulenic D(nh) rings (equal bonds, alternating angles), with one intense out of plane mode and three infrared-active degenerate modes, of which the highest one is extremely intense and asymptotically increases to 1597 cm(-1) for n=10. Comparisons with C(2n) clusters and B(n)N(n) clusters, the structure and bonding type for the Be(n)O(n) clusters are consistent with those of the C(2n) (n=3, 5, 7, ...) clusters and the B(n)N(n) clusters.

Related Materials

Product #

Image

Description

Molecular Formula

Add to Cart

202770
Beryllium oxide, 99.98% trace metals basis
BeO