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A NEW INSIGHT FROM QUALITATIVE MO THEORY INTO THE PROBLEM OF THE FE-FE BOND IN FE2(CO)9

被引：40
作者：
MEALLI, C
PROSERPIO, DM
机构：
[1] Istituto per lo Studio della Stereochimica ed Energetica dei Composti di Coordinazione, C.N.R., 50132 Firenze
来源：
JOURNAL OF ORGANOMETALLIC CHEMISTRY | 1990年 / 386卷 / 02期
关键词：
D O I：
10.1016/0022-328X(90)85245-T
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A revision of EHMO calculations with FMO analysis has provided new qualitative insight into the bonding network in Fe2(CO)9 and reconciled the previous diverging interpretations. After separation of all of the Fe(CO)bridge bonding/antibonding levels (12 electrons for six FeC bonds) there remains a two-electron/two-orbital interaction (σ/σ{black star}) that is ultimately responsible for a direct (through-space) FeFe bond. However, predominant repulsive interactions via the CO bridges (through-bond) may hide the linkage. © 1990.
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页码：203 / 208
页数：6
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