Carbonyl copper(I) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methane ligands: a DFT study

Maurizio Casarin; Luciano Pandolfo; Andrea Vittadini

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Carbonyl copper(I) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methane ligands: a DFT study

机译：羰基铜（I）与氢三（1,2,4-三唑基）硼酸酯，氢三（吡唑基）硼酸酯和三（吡唑基）甲烷配体的络合物：DFT研究

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摘要

Theoretical evidence supporting the use of hydrotris(1,2,4-triazolyl)-borate (ttz) ligands as a proper alternative to the hydrotris-(pyrazolyl)borate (tp) ones is provided by density functional calculations.

机译：通过密度泛函计算提供了支持使用氢三（1,2,4-三唑基）-硼酸酯（ttz）配体作为氢三-（吡唑基）硼酸酯（tp）配体的合适替代品的理论证据。

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《Physical chemistry chemical physics: PCCP》 |2009年第1期|共3页
作者
Maurizio Casarin; Luciano Pandolfo; Andrea Vittadini;
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中图分类物理化学（理论化学）、化学物理学;
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1. Carbonyl copper(I) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methane ligands: a DFT study [J] . Maurizio Casarin, Luciano Pandolfo, Andrea Vittadini Physical chemistry chemical physics: PCCP . 2009,第1期

机译：羰基铜（I）与氢三（1,2,4-三唑基）硼酸酯，氢三（吡唑基）硼酸酯和三（吡唑基）甲烷配体的络合物：DFT研究
2. Heterometal cubane-type MFe3S4 clusters (M = Mo, V) trigonally symmetrized with hydrotris(pyrazolyl)borate(1-) and tris(pyrazolyl)methanesulfonate(1-) capping ligands [J] . Fomitchev DV., McLauchlan CC., Holm RH. Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2002,第4期

机译：杂金属古巴型MFe3S4簇（M = Mo，V）与氢三（吡唑基）硼酸酯（1-）和三（吡唑基）甲磺酸酯（1-）封端配体三角对称
3. Cu-63 NMR study of copper(I) carbonyl complexes with various hydrotris(pyrazolyl)borates: Correlation between Cu-63 chemical shifts and CO stretching vibrations [J] . Imai S., Kobayashi T., Shirasawa N., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 1998,第12期

机译：具有各种氢三（吡唑基）硼酸酯的羰基铜（I）配合物的Cu-63 NMR研究：Cu-63化学位移与CO拉伸振动之间的关系
4. Synthesis and Characterization of Hydrotris(pyrazolyl)borate Titanium Complexes Containing Phenoxy Ligand and Their Use in Catalysis for Ethylene Polymerization [C] . Koii Itagaki, Kenichi Kakinuki, Michiya Fujiki Symposium on Organometallic Chemistry . 2008

机译：含有苯氧基配体的水溶式（吡唑基）硼酸盐钛配合物的合成与表征及其在乙烯聚合催化中的应用
5. Dioxygen activation by low valent cobalt complexes supported by ferrocenyl-substituted, redox active hydrotris(pyrazolyl)borate ligands. [D] . Sirianni, Eric R. 2014

机译：由二茂铁基取代的氧化还原活性氢三（吡唑基）硼酸酯配体支持的低价钴络合物活化双氧。
6. Cobalt(II) Complexes with NNN-Scorpionates and Bidentate Ligands: Comparison of Hydrotris(35-dimethylpyrazol-1-yl)borate Tp* vs. Phenyltris(44-dimethyloxazolin-2-yl)borate ToM to Control the Structural Properties and Reactivities of Cobalt Centers [O] . Toshiki Nishiura, Takahiro Uramoto, Yuichiro Takiyama, 2018

机译：具有NNN-蝎子酸盐和双齿配体的钴（II）配合物：氢三（35-二甲基吡唑-1-基）硼酸酯Tp *与苯基三（44-二甲基恶唑啉-2-基）硼酸酯ToM的比较控制钴中心的结构性质和活性
7. Synthesis and Characterization of Catecholato Copper(II) Complexes with Sterically Hindered Neutral and Anionic N3 Type Ligands: Tris(3,5-diisopropyl-1-pyrazolyl)methane and Hydrotris(3,5-diisopropyl-1-pyrazolyl)borate [O] . Kiyoshi Fujisawa, Tetsuya Ono, Moemi Okamura 2020

机译：具有空间阻碍中性和阴离子N3型配体的儿茶醇铜（II）配合物的合成与表征：Tris（3,5-二异丙基-1-吡唑基）甲烷和水溶式（3,5-二异丙基-1-吡唑基）硼酸盐
8. Dimethylamino-tris(1-pyrazolyl)borate(1-) Ion, A New Hybrid Poly(1-pyrazolyl)borate Ligand [R] . Niedenzu, K., Trofimenko, S. 1985

机译：二甲氨基三（1-吡唑基）硼酸盐（1-）离子，一种新的杂化聚（1-吡唑基）硼酸盐配体

Carbonyl copper(I) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methane ligands: a DFT study

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