POSSIBILITY OF MOLECULAR-SWITCH WITH CONTROLLED HYDROGEN BOND: UTILITY OF COMBINATION OF 2,2′-BIIMIDAZOLE AND REDOX-ACTIVE LIGAND
POSSIBILITY OF MOLECULAR-SWITCH WITH CONTROLLED HYDROGEN BOND: UTILITY OF COMBINATION OF 2,2′-BIIMIDAZOLE AND REDOX-ACTIVE LIGAND
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具有受控氢键的分子开关的可能性：2,2-联咪唑和氧化还原活性配体的组合的效用
DOI：
10.1142/s0219633605001477
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发表时间：
2005
影响因子：
2.4
通讯作者：
E. Miyoshi
中科院分区：
文献类型：
--
作者：
H. Mori;E. Miyoshi
在密度泛函理论的框架下，设计了一种新型的无机分子[Co（Hbim）（C6 H4 O2）（NH3）2]2，该分子可用作新型的光学耐久性分子开关.三个稳定的最低点，属于1Ag，5A 1，和9Ag状态，被发现在配合物。理论预测的配合物的红外光谱表明，观察到一个强大的NH伸缩振动峰在2690，2120，和2770 cm-1的1Ag，5A 1，和9Ag状态，分别。NH伸缩振动带在5A 1态的明显红移使得可以将该电子态与其他电子态（1Ag和9Ag）区分开。这意味着该复合物可以用作分子水平开关，其存储器可以通过IR光稳定地读取，而没有任何光反应过程;即，没有存储器退化。
A new inorganic molecule [Co(Hbim)(C6H4O2)(NH3)2]2 that can be used as a new optically durable molecular switch was theoretically designed in the framework of density functional theory. Three stable minima, belonging to 1Ag, 5A1, and 9Ag states, were found in the complex. Theoretically predicted infrared spectra of the complexes showed that a strong peak of NH stretching vibration is observed at 2690, 2120, and 2770 cm-1 in the 1Ag, 5A1, and 9Ag states, respectively. The apparent red shift of the NH stretching vibration band in the 5A1 state make it possible to distinguish the electronic state from others (1Ag and 9Ag). This means that the complex can be used as a molecular level switch whose memory can be stably read by IR light without any photoreaction process; namely, without memory degradation.
影响因子：
64.8
作者：
Irie, M;Fukaminato, T;Kawai, T
通讯作者：
Kawai, T