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  3. From Structure to Function: Characterization of Cu(I) Adducts in Leveler Additives by DFT Calculations
 

From Structure to Function: Characterization of Cu(I) Adducts in Leveler Additives by DFT Calculations

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Date of Publication
2011
Publication Type
Article
Division/Institute

Departement für Chemi...

Author
Simona, F.
Hai, N.T.M.
Broekmann, Peterorcid-logo
Departement für Chemie und Biochemie (DCB)
Cascella, Michele
Departement für Chemie und Biochemie (DCB)
Series
The journal of physical chemistry letters
ISSN or ISBN (if monograph)
1948-7185
Publisher
American Chemical Society
Language
English
Publisher DOI
10.1021/jz201430h
Description
We present the first molecular model of the coordination complex formed by Cu(I) and imidazole-epichlorohydrin polymers. Our calculations show that the Cu(I) ion has linear coordination and the whole complex has neutral charge. Our model suggests salt couple pairing as the driving force for the formation of the surface-confined precipitation, which is crucial to obtain flat surfaces in industrial copper deposition processes, required for mass fabrication of state-of-the-art electronic and memory devices.
Handle
https://boris-portal.unibe.ch/handle/20.500.12422/79518
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