کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7690680 | 1495962 | 2018 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Infrared, Raman and computational study of a crystalline mononuclear copper complex of relevance to the pigment Verdigris
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Infrared, Raman and computational study of a crystalline mononuclear copper complex of relevance to the pigment Verdigris Infrared, Raman and computational study of a crystalline mononuclear copper complex of relevance to the pigment Verdigris](/preview/png/7690680.png)
چکیده انگلیسی
Vibrational spectroscopy is widely used in the study of pigments and degradation processes in historical art objects. Bis(acetato-κ2O,O) diammine copper(II) [Cu(MeCOO)2(NH3)2] shares coordination features with some types of copper soaps found in paint layers containing the green pigment Verdigris. In this study, we present new insights based on observed vibrational (IR, Raman) spectra. The Raman spectrum is presented for the first time, while only very early IR data were previously available. The interpretations are supported by quantum chemical calculations. The model calculations for a dimeric cluster model show the importance of including at least two metal complex units and an extended hydrogen-bond network to properly simulate the crystal environment. Decent agreement with experimental spectra was achieved applying a DFT-level layered integrated molecular orbital model.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vibrational Spectroscopy - Volume 97, July 2018, Pages 66-74
Journal: Vibrational Spectroscopy - Volume 97, July 2018, Pages 66-74
نویسندگان
Elena Platania, Noëlle L.W. Streeton, Hartmut Kutzke, Arne Karlsson, Einar Uggerud, Niels Højmark Andersen,