z*****a
发帖数: 3 | 1 【 以下文字转载自 Biology 讨论区 】
【 原文由 zyzzyva 所发表 】
Does anyone know there is a cluster with such kind of structure?
It means that there are 6 Fe that creates a sphere surface, and
a N or C is in the center of the Sphere.
Thanks | l**********n
发帖数: 72 | 2 It's quite unusual to have endohedral structure like this. Generally according
to the LDA calculation, the covalent bonding of the IV elements could easily
form a cage. While for metals, when the cluster size is small, the electrons
are quite energetic and very active. I know some metal clusters with 10-15 Fe
atoms but with hydrogen binding outside.
Tell me if you have any results. It's very nice to know.
【在 z*****a 的大作中提到】
: 【 以下文字转载自 Biology 讨论区 】
: 【 原文由 zyzzyva 所发表 】
: Does anyone know there is a cluster with such kind of structure?
: It means that there are 6 Fe that creates a sphere surface, and
: a N or C is in the center of the Sphere.
: Thanks
| z*****a
发帖数: 3 | 3 I have searched some data base and get some.
YAYOIY 2(C24H20P1(+))C14Fe6N2O15(2-)C4H8O1
ZUCWAV
ZUCWEZ
【在 l**********n 的大作中提到】
: It's quite unusual to have endohedral structure like this. Generally according
: to the LDA calculation, the covalent bonding of the IV elements could easily
: form a cage. While for metals, when the cluster size is small, the electrons
: are quite energetic and very active. I know some metal clusters with 10-15 Fe
: atoms but with hydrogen binding outside.
: Tell me if you have any results. It's very nice to know.
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