Study of Electronic and Vibrational Structures of Reduced, Neutral, and Oxidized Ni(3)(dpa)(4)X(2) Using Density Functional Theory and Raman Spectroscopy

[Image: see text] The electronic and vibrational structures of trinickel metal string complexes [Ni(3)(dpa)(4)X(2)](1–,0,1+) (X = Cl, NCS) were investigated using both theoretical calculations and spectroscopic methods. We used the density functional theory (DFT) method B3LYP*-D3, including less exa...

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Detalles Bibliográficos
Autores principales: Chen, Wei-Hao, Huang, Chen-Wei, Wu, Bo-Han, Cheng, Ming-Chuan, Peng, Shie-Ming, Chen, I-Chia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7331223/
https://www.ncbi.nlm.nih.gov/pubmed/32637838
http://dx.doi.org/10.1021/acsomega.0c01844

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