Effects of the reaction cavity on metastable optical excitation in ruthenium-sulfur dioxide complexes
Effects of the reaction cavity on metastable optical excitation in ruthenium-sulfur dioxide complexes
复制标题
反应腔对钌-二氧化硫配合物亚稳态光激发的影响
DOI：
10.1103/physrevb.82.155118
复制
发表时间：
2010
影响因子：
3.7
通讯作者：
K. S. Low
中科院分区：
文献类型：
--
作者：
A. E. Phillips;J. Cole;T. d'Almeida;K. S. Low
我们报道了 [Ru(SO{sub 2})(NH{sub 3}){sub 4}X]Y 家族两个新成员的光激发态晶体结构：1:X=H{sub 2}O, Y=({+-})-樟脑磺酸盐{sub 2}； 2:X=异烟酰胺，Y=甲苯磺酸盐{sub 2}。激发态在 100 K 下是亚稳态的，1 中的光转换分数为 11.1(7)%，2 中两个不同位点的光转换分数为 22.1(10)% 和 26.9(10)%。我们进一步使用固态密度泛函理论计算表明，所实现的激发态几何形状受到局部晶体环境的强烈影响。该结果与合理设计用于光学数据存储应用的相关光激发系统的尝试相关。
We report photoexcited-state crystal structures for two new members of the [Ru(SO{sub 2})(NH{sub 3}){sub 4}X]Y family: 1:X=H{sub 2}O, Y=({+-})-camphorsulfonate{sub 2}; 2:X=isonicotinamide, Y=tosylate{sub 2}. The excited states are metastable at 100 K, with a photoconversion fraction of 11.1(7)% achieved in 1, and 22.1(10)% and 26.9(10)% at the two distinct sites in 2. We further show using solid-state density-functional-theory calculations that the excited-state geometries achieved are strongly influenced by the local crystal environment. This result is relevant to attempts to rationally design related photoexcitation systems for optical data-storage applications.