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Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy
- 1.0534503 - ÚOCHB 2021 RIV GB eng J - Journal Article
Mendes de Oliveira, D. - Zukowski, S. R. - Palivec, Vladimír - Hénin, J. - Martinez-Seara, Hector - Ben-Amotz, D. - Jungwirth, Pavel - Duboué-Dijon, Elise
Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy.
Physical Chemistry Chemical Physics. Roč. 22, č. 41 (2020), s. 24014-24027. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GX19-26854X; GA ČR(CZ) GA19-19561S; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : Raman spectroscopy * acetate anion * molecular dynamics
OECD category: Physical chemistry
Impact factor: 3.676, year: 2020
Method of publishing: Limited access
https://doi.org/10.1039/D0CP02987D
In this study we report the first use of Raman multivariate curve resolution (Raman-MCR) vibrational spectroscopy to obtain self-consistent free and bound metal acetate spectra and one-to-one binding constants, without the need to invoke any a priori assumptions regarding the shapes of the corresponding vibrational bands.
Permanent Link: http://hdl.handle.net/11104/0312835
Number of the records: 1