Coordination of Ti cation embedded in argon clusters

被引：9
|
作者：
Velegrakis, M
Froudakis, GE
Farantos, SC
机构：
[1] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Greece
[2] Univ Crete, Dept Chem, Iraklion 71110, Greece
来源：
CHEMICAL PHYSICS LETTERS | 1999年 / 302卷 / 5-6期
关键词：
D O I：
10.1016/S0009-2614(99)00162-1
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：
A laser vaporisation source and a time-of-flight mass spectrometer are used for the production and detection of Ti+Arn clusters. Parallel, density functional theory (DFT) calculations assist in extracting the structures of the first members of the series. The mass spectrum is dominated by one intense line of Ti+Ar6, for which the DFT calculations predict a regular octahedron. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：595 / 601
页数：7
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