含三（1,2,4 - 三唑基）硼酸氢盐、三（吡唑基）硼酸氢盐和三（吡唑基）甲烷配体的羰基铜（I）配合物：一项密度泛函理论研究
Carbonyl copper(I) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methane ligands: a DFT study.
作者信息
Casarin Maurizio, Pandolfo Luciano, Vittadini Andrea
机构信息
Dipartimento di Scienze Chimiche, via Francesco Marzolo 1, 35131, Padova, Italy.
出版信息
Phys Chem Chem Phys. 2009 Jan 7;11(1):94-6. doi: 10.1039/b815095h. Epub 2008 Nov 18.
DOI:10.1039/b815095h
PMID:19081911
Abstract
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.
摘要
密度泛函计算提供了理论证据，支持使用氢三（1,2,4 - 三唑基）硼酸盐（ttz）配体作为氢三（吡唑基）硼酸盐（tp）配体的合适替代物。
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