Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series Tp(Me2)NbCl(c-CnH2n-1)(MeC CMe), n=3-6

Besora M; Maseras F; McGrady JE; Oulie P; Dinh DH; Duhayon C; Etienne M

首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series Tp(Me2)NbCl(c-CnH2n-1)(MeC CMe), n=3-6

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Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series Tp(Me2)NbCl(c-CnH2n-1)(MeC CMe), n=3-6

机译：Tp（Me2）NbCl（c-CnH2n-1）（MeC CMe）系列中环丁基三（吡唑基）硼铌铌配合物的结构和键合以及依环尺寸的无规行为的变化，n = 3-6

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The synthesis and characterisation of the cyclobutyl complex Tp(Me2)NbCl(c-C4H7)(MeC= CMe) completes the family of cycloalkyl complexes Tp(Me2)NbCl(c-CnH2n-1), n = 3 - 6. The properties of the cyclobutyl complex are qualitatively similar to those of its cyclopentyl and cyclohexyl analogues, and dramatically different from those of the cyclopropyl derivative. Most conspicuously, the cyclobutyl system has an alpha-C-H agostic interaction in the dominant isomer, with no evidence for the alpha-C-C agostic character found for the smaller ring. C - C agostic character therefore seems to be unique to the cyclopropyl complex, where the acute C - C - C angles destabilise the C - C bonding orbitals.

机译：环丁基配合物Tp（Me2）NbCl（c-C4H7）（MeC = CMe）的合成和表征完成了环烷基配合物Tp（Me2）NbCl（c-CnH2n-1）的族，n = 3-6。性质在质量上，环丁基配合物与环戊基和环己基类似物相似，并且与环丙基衍生物的相差很大。最显着的是，环丁基系统在主要异构体中具有α-C-H异位相互作用，没有证据表明较小的环具有α-C-C异位特征。因此，C-C的异常特性似乎是环丙基复合物所特有的，在该环丙基复合物中，急性C-C-C角破坏了C-C键合轨道的稳定性。

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《Dalton transactions: An international journal of inorganic chemistry》 |2006年第19期|共6页
作者
Besora M; Maseras F; McGrady JE; Oulie P; Dinh DH; Duhayon C; Etienne M;
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中图分类无机化学;
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EFFECTIVE CORE POTENTIALS; ELECTRON-DENSITY; C-C; ORGANOMETALLIC CHEMISTRY; POLARIZATION FUNCTIONS; MOLECULAR CALCULATIONS; BASIS-SETS; PERSPECTIVE; MECHANICS; METALS;

机译：有效核心势;电子密度;C-C;有机化学;极化函数;分子计算;基组;透视;力学;金属;

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1. Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series Tp(Me2)NbCl(c-CnH2n-1)(MeC CMe), n=3-6 [J] . Besora M, Maseras F, McGrady JE, Dalton transactions: An international journal of inorganic chemistry . 2006,第19期

机译：Tp（Me2）NbCl（c-CnH2n-1）（MeC CMe）系列中环丁基三（吡唑基）硼铌铌配合物的结构和键合以及依环尺寸的无规行为的变化，n = 3-6
2. Ruthenium Tris-pyrazolylborate Complexes XVII [1]. Structure and Bonding in a Series of Ruthenium Hydrido-tris-(pyrazolyl)-borate Cyclooctadiene Complexes [J] . Sabine Kremel, Kurt Mereiter, Christian Slugovc, Monatshefte fur Chemie . 2001,第5期

机译：Tris-pyrazolylborate钌配合物XVII [1]。系列钌-三-（吡唑基）-硼酸酯环辛二烯配合物的结构和键合

Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series Tp(Me2)NbCl(c-CnH2n-1)(MeC CMe), n=3-6

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