Regression analysis of properties of [Au(IPr)(CHR2)] complexes

Veenboer Richard M. P.; Miguel Azofra Luis; Gasperini Danila; Collado Alba; Cordes David B.; Slawin Alexandra M. Z.; Cavallo Luigi; Nolan Steven P.

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Regression analysis of properties of [Au(IPr)(CHR2)] complexes

机译：[Au（IPR）（CHR2）]复合物的性质的回归分析

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New [Au(IPr)(CHR2)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH2R2. An array of spectroscopic (IR and NMR), structural (X-ray), electronic (DFT) and experimental (reactivity) parameters was collected to quantify the variation in stereoelectronic properties of these new and previously reported [Au(IPr)(CHR2)] complexes. Variation of the R substituents on the carbanion ligands (CHR2-) was found to have a crucial impact on parameters characterising the resulting gold complexes. A regression analysis of both experimental and modelled parameters, guided by network analysis techniques, produced linear models that supported trends within the [Au(IPr)(CHR2)] complexes.

机译：新的[Au（IPR）（CHR2）]复合物通过[AU（IPR）（OH）]的原粒体分解反应，具有中等酸性底物，CH 2R 2。收集一系列光谱（IR和NMR），结构（X射线），电子（DFT）和实验（反应性）参数，以量化这些新的和先前报道的立体电子性质的变化[AU（IPR）（CHR2） ]复合物。发现碳配体上的R取代基（CHR2-）的变异对表征所得金络合物的参数具有至关重要的影响。通过网络分析技术引导的实验和建模参数的回归分析，产生了支持[AU（IPR）（CHR2）]复合物内的趋势的线性模型。

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《Dalton transactions: An international journal of inorganic chemistry》 |2019年第22期|共11页
作者
Veenboer Richard M. P.; Miguel Azofra Luis; Gasperini Danila; Collado Alba; Cordes David B.; Slawin Alexandra M. Z.; Cavallo Luigi; Nolan Steven P.;
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作者单位

Univ St Andrews Sch Chem EaStCHEM St Andrews KY16 9ST Fife Scotland;

ULPGC Univ Sevilla Inst Ciencia Mat Sevilla FEAM CSIC Unidad Asociad Inst Estudios Ambient &

Recursos Nat i UNAT CIDIA Campus Tafira Las Palmas Gran Canaria 35017 Spain;

Univ Bath Dept Chem Bath BA2 7AY Avon England;

Univ Complutense Fac Ciencias Quim Dept Quim Organ E-28040 Madrid Spain;

Univ St Andrews Sch Chem EaStCHEM St Andrews KY16 9ST Fife Scotland;

Univ St Andrews Sch Chem EaStCHEM St Andrews KY16 9ST Fife Scotland;

KAUST KAUST Catalysis Ctr KCC Thuwal 239556900 Saudi Arabia;

Univ Ghent Dept Chem Krijgslaan 281 S-3 B-9000 Ghent Belgium;

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中图分类化学;无机化学;
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1. Regression analysis of properties of [Au(IPr)(CHR2)] complexes [J] . Veenboer Richard M. P., Miguel Azofra Luis, Gasperini Danila, Dalton transactions: An international journal of inorganic chemistry . 2019,第22期

机译：[Au（IPR）（CHR2）]复合物的性质的回归分析
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Regression analysis of properties of [Au(IPr)(CHR2)] complexes

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