REACTIONS OF COBALT CLUSTERS WITH WATER AND AMMONIA - IMPLICATIONS FOR CLUSTER STRUCTURE

被引:50
作者
PARKS, EK
KLOTS, TD
WINTER, BJ
RILEY, SJ
机构
[1] Chemistry Division, Argonne National Laboratory, Argonne
[2] IITRI/NIPER, Bartlesville, OK 74005
[3] Max-Planck-Institut für Plasmaphysik
关键词
D O I
10.1063/1.465935
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Reactions of cobalt clusters in the 6 to 150 atom size range with water and ammonia are used to probe cluster geometrical structure. Clusters saturated with ammonia are found in several isomeric forms in much of this size region, including a structure based on icosahedral packing for clusters having 50 to 120 atoms. The variations with cluster size of the binding energy for a single water molecule provide evidence for icosahedral structure of the bare cobalt clusters in the same size range seen for the ammoniated clusters. However, both probes suggest that in many cases the bare clusters also have multiple isomers. The evidence for icosahedral structure in the bare and ammoniated clusters disappears above approximately 120 atoms and is clearly not seen at the third icosahedral shell closing at 147 atoms. Comparison with earlier studies of hydrogenated cobalt clusters and with bare and hydrogenated nickel clusters is made. Reasons for the failure to form the closed-shell 147 atom icosahedral cluster are discussed.
引用
收藏
页码:5831 / 5839
页数:9
相关论文
共 31 条
[1]  
AKEBY H, 1990, J PHYS CHEM-US, V94, P5471
[2]   ELECTRONIC AND GEOMETRIC STRUCTURE IN SILVER CLUSTERS [J].
ALAMEDDIN, G ;
HUNTER, J ;
CAMERON, D ;
KAPPES, MM .
CHEMICAL PHYSICS LETTERS, 1992, 192 (01) :122-128
[3]   H2O/NI(100) AND NH3/NI(100) - A COMPUTATIONAL APPROACH [J].
BAUSCHLICHER, CW .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) :3129-3133
[4]   CHEMICAL-REACTIONS OF SMALL GAS-PHASE METAL-CLUSTERS [J].
BECHTHOLD, PS ;
PARKS, EK ;
WEILLER, BH ;
POBO, LG ;
RILEY, SJ .
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE NEUE FOLGE, 1990, 169 :101-122
[5]   QUANTUM-CHEMISTRY OF SMALL CLUSTERS OF ELEMENTS OF GROUP-IA, GROUP-IB, AND GROUP-IIA - FUNDAMENTAL-CONCEPTS, PREDICTIONS, AND INTERPRETATION OF EXPERIMENTS [J].
BONACICKOUTECKY, V ;
FANTUCCI, P ;
KOUTECKY, J .
CHEMICAL REVIEWS, 1991, 91 (05) :1035-1108
[6]   THE ENERGETICS AND STRUCTURE OF NICKEL CLUSTERS - SIZE DEPENDENCE [J].
CLEVELAND, CL ;
LANDMAN, U .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (11) :7376-7396
[7]   GROUND-STATE PROPERTIES AND OPTICAL-RESPONSE OF LIXNA4-X,X=0-4 - AN ABINITIO STUDY [J].
DAHLSEID, TA ;
KAPPES, MM ;
POPLE, JA ;
RATNER, MA .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (07) :4924-4933
[8]   SELF-INTERACTION CORRECTED DENSITY FUNCTIONALS AND THE STRUCTURE OF METAL-CLUSTERS [J].
FOIS, ES ;
PENMAN, JI ;
MADDEN, PA .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (08) :6352-6360
[9]   PECULIARITIES OF STRUCTURES AND MELTING-LIKE TRANSITION IN GOLD CLUSTERS [J].
GARZON, IL ;
JELLINEK, J .
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1993, 26 (1-4) :316-318
[10]  
GUVENC ZB, 1992, PHYSICS CHEM FINITE, V1, P441