کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5418318 | 1506987 | 2006 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Sandwich-type transition metal complexes [(CBO)n]2M with carbon boronyl ligands (CBO)n (n=4-6)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Sandwich-type transition metal complexes [(CBO)n]2M with carbon boronyl ligands (CBO)n (n=4-6) Sandwich-type transition metal complexes [(CBO)n]2M with carbon boronyl ligands (CBO)n (n=4-6)](/preview/png/5418318.png)
چکیده انگلیسی
A density functional theory investigation on a series of sandwich-type transition metal complexes [(CBO)n]2M (n=4-6; M=transition metals) with carbon boronyls (CBO)n as effective aromatic ligands has been presented in this work at B3LYP level. The ground-states of these complexes possess staggered Dnd symmetries, while the corresponding eclipsed Dnh structures exist as transition states with slightly higher energies (within 5.8Â kJ/mol). Carbon boronyl complexes [(CBO)n]2M are confirmed to be much more stable than their boron carbonyl isomers [(BCO)n]2M, which, on the other hand, take eclipsed ground-states with Dnh symmetries. The carbon boronyl complexes [(BCO)n]2M proposed in this work parallelize the well-known sandwich-type hydrocarbon complexes [CnHn]2M in coordination chemistry with boronyl groups -BO isolobal to -H atoms in corresponding ligands.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 770, Issues 1â3, 29 September 2006, Pages 193-197
Journal: Journal of Molecular Structure: THEOCHEM - Volume 770, Issues 1â3, 29 September 2006, Pages 193-197
نویسندگان
Guang-Ming Ren, Si-Dian Li, Chang-Qing Miao,