Structures and Ionization Energies of Cobalt-Benzene Clusters (Con(benzene)m)

Abstract

Cobalt-benzene clusters, Co,,(benzene),,,, were synthesized by the reaction of laser-vaporized C o atoms with benzene vapor. The clusters exhibit magic-number behavior not only at m = n + 1 (n = 1-3) but also at (n-m) = (3-3), (4-4), (5-4), (6-4), (7-4), (8-5), and (9-6). Observed magic-number behavior and ionization energies are consistently explained by assuming the structure of the clusters to be multiple-decker sandwiches for n-m (m = n + 1, n = 1 -3) and to be an n atom metal cluster coated by m benzene molecules for iz-m ( n 2 4). In this paper, we will present the properties of Co,,(benzene),,, clusters from the viewpoints of mass distribution, reactivity, and ionization energies. The structure and formation mechanism of the Co,,(benzene),,, clusters will also be discussed.

Spin inelastic currents in molecular ring junctions

“…We note that magnetic impurity placed at the ring center is an idealization, the only condition for the practical relevance of our model requires impurity in the vicinity of the benzene ring, which induces the spin-spin exchange interaction. Such structures have been studied both experimentally 68,69 and theoretically.…”

Generation and electronic properties of lanthanide–cyclooctatetraene organometallic clusters in gas phase

“…Our recent development of methodology combining a laser-vaporization method and a molecular beam method has opened up a new way for facile investigation of organometallic clusters [8,9]. In the gas phase, it is possible to understand a metal-molecule interaction without a Corresponding author.…”

Complex magnetic orders in small cobalt–benzene molecules

“…Experimental results suggest that clusters of late transition metals fully saturated with benzene molecules are stable π-complexes that are not very reactive. [17][18][19] Rather than having the metal center(s) sandwiched between benzene rings, as was typical in early transition metal complexes, [17][18][19][20] the cobalt centers in cobalt-benzene (Co-Bz) clusters are close together, forming an inner metallic cluster bound through π-bonds to benzene molecules around the cluster, commonly called rice-ball configuration.…”

“…It should be noted that Co 3 Bz 3 clusters have been found to be more stable and abundant than other sizes, a fact that can be analyzed by mass spectrometry. [17][18][19][20] In our study we explore both the collinear and non-collinear magnetic orders. We used several density functional theory (DFT) approaches.…”