基于Aln+m+团簇分离方式主要以离解出中型或带电单Al原子为主的实验结果,采用线性同步转变(LST)和二次同步转变(QST)方法考察了Aln+m+ (n+m≤13) 团簇在双分模式下的不同分裂过程,并通过分裂吸收热△HR-P和分裂激活能△ER-T等的计算,在能态结构上分析了Aln+(n=2～13)团簇的分裂路径及其机理.结果表明: Aln+ (n=2～13)团簇以分裂出电中性或带电Al原子模式吸热△HR-P和所需分裂激活能△ER-T最少,而分裂成原子数相差较小的两个较大团簇所需裂解能量最多,因此,Aln+ (n=2～13)团簇主要以Aln+ →Al+ Aln-1+或Aln+→Al++ Aln-1路经裂解.
参考文献
| [1] | SAUNDERS W A;FAYET P;WOSTE L .Photodestruction of positively and negatively charged aluminum-cluster ions[J].Physical Review A,1989,39(09):4400-4405. |
| [2] | SCHRIVER K E;PERSSON J L;HONEA E C;WHETTEN R L .Electronic shell of group-III A metal atomic cluster[J].Physical Review Letters,1990,64(21):2539-2543. |
| [3] | RAY U;JARROLD M F;BOWER J E;KRAUS J E .Photodissociation kinetics of aluminum cluster ions:determination of cluster dissociation energies[J].Journal of Chemical Physics,1989,91(05):2912-2921. |
| [4] | B. K. Rao;P. Jena .Evolution of the electronic structure and properties of neutral and charged aluminum clusters: A comprehensive analysis[J].The Journal of Chemical Physics,1999(5):1890-1904. |
| [5] | HEER W A;MILANI P;CHATELAIN A .Nonjelliu-to-jellium transition in Aluminum cluster polarizabilities[J].Physical Review Letters,1989,63(26):2834-2836. |
| [6] | COX D M;TREVOR R L;WHETTEN R L .Aluminum clusters:Magnetic properties[J].Journal of Chemical Physics,1986,84(08):4651-4656. |
| [7] | JARROLD M D;BOWER J E;KRAUS J S .Collision induced dissociation of metal cluster ions:Bare aluminum clusters Aln+(n=3-26)[J].Journal of Chemical Physics,1987,86(07):3876-3885. |
| [8] | HANLEY L;RUATTA S A;ANDERSON S L .Collisioninduced dissociation of aluminum cluster ions:Fragmentation patterns,bond energies,and structures for Al2+-Al7+[J].Journal of Chemical Physics,1987,86(01):260-268. |
| [9] | INGóLFSSON O;TAKEO H .Energy-resolved collisioninduced dissociation of Aln+ cluster (n=2-11) in the center of mass energy range from few hundred meV to 10 eV[J].Journal of Chemical Physics,1999,110(09):4382-4393. |
| [10] | Lesley D. Lloyd;Roy L. Johnston .Modelling aluminium clusters with an empirical many-body potential[J].Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature,1998(1/3):107-121. |
| [11] | PERDEW J P;BURKE K;ERNZERHOF M .Generalized gradient approximation made simple[J].Physical Review Letters,1996,77(18-28):3865-3868. |
| [12] | DELLEY B .Analytic energy derivatives in the numerical localdensity-functional approach[J].Journal of Chemical Physics,1991,94(11):7245-7250. |
| [13] | PACK J D;MONKHORST H J .Special points for Brillouinzone integrations-A reply[J].Physical Review B,1977,16(4-15):1748-1749. |
| [14] | HALGREN T A;LIPSCOMB W N .The synchronous-transit method for determining reaction pathways and locating molecular transition states[J].Chemical Physics Letters,1977,49(02):225-232. |
| [15] | 彭平,李贵发,郑采星,韩绍昌,刘让苏.Aln（n=3,4,6,13,19）团簇的结构稳定性与形态演化[J].中国科学E辑,2006(09):975-982. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%