کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1305314 | 1498927 | 2016 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
N-heterocyclic carbene-stabilized homoatomic lithium(0) complexes with a lithium–lithium covalent bond: A theoretical design and characterization
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی معدنی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: N-heterocyclic carbene-stabilized homoatomic lithium(0) complexes with a lithium–lithium covalent bond: A theoretical design and characterization N-heterocyclic carbene-stabilized homoatomic lithium(0) complexes with a lithium–lithium covalent bond: A theoretical design and characterization](/preview/png/1305314.png)
چکیده انگلیسی
Density functional theory calculations (B3LYP and B2PLYP-D2) have been utilized to design and characterize novel homoatomic lithium(0) organometallic complexes of the NHC → Li–Li ← NHC type (NHC = N-heterocyclic carbenes). The computed Li–Li bond length and energy are consistent with those experimentally observed for Li2(g). These and other structural and energetic data suggest that such organolithium compounds should be viable targets for synthesis. These compounds would represent a new class of molecular “allotropes” and could have novel reactivities.
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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Inorganic Chemistry Communications - Volume 63, January 2016, Pages 61–64
Journal: Inorganic Chemistry Communications - Volume 63, January 2016, Pages 61–64
نویسندگان
Caixia Yuan, Yan-Bo Wu, Xiaotai Wang,