A COMBINED EXPERIMENTAL AND THEORETICAL-STUDY OF THE NEUTRAL, CATIONIC, AND ANIONIC SI3N CLUSTER-MOLECULE

被引：43

作者：

GOLDBERG, N ^{[1
]}

IRAQI, M ^{[1
]}

SCHWARZ, H ^{[1
]}

BOLDYREV, A ^{[1
]}

SIMONS, J ^{[1
]}

机构：

[1] UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 04期

关键词：

D O I：

10.1063/1.467601

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：

Collision experiments and high-level ab initio calculations are used for the first characterization of the neutral, cationic, and anionic Si3N cluster molecules. The experimentally observed fragmentation processes are well described by calculated reaction energies of all dissociation channels. In addition, the geometries and harmonic frequencies of SinN (n=1-3) have been calculated for the cationic, anionic, and neutral species.

引用

页码：2871 / 2879

页数：9

共 78 条

[71] COMPLEX ELECTRON-AFFINITY PROCESSES AND IONIZATION IN THE CLUSTERS SI3-SI10 [J].