کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10558204 | 968970 | 2005 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Vibrational analysis of 1,4-diaminoanthraquinone and 1,5-dichloroanthraquinone
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Vibrational analysis of 1,4-diaminoanthraquinone and 1,5-dichloroanthraquinone Vibrational analysis of 1,4-diaminoanthraquinone and 1,5-dichloroanthraquinone](/preview/png/10558204.png)
چکیده انگلیسی
This work deals with the vibrational spectroscopy of 1,4-diaminoanthraquinone (1,4-DAAQ) and 1,5-dichloroanthraquinone (1,5-DCAQ). The mid and far FTIR and FT-Raman spectra were measured in the condensed state. The fundamental vibrational frequencies and intensity of the vibrational bands were evaluated using density functional theory (DFT) with the B3LYP functional and 6-31Â G* basis set. The vibrational spectra were interpreted with the aid of normal coordinate analysis based on a scaled quantum mechanical force field. The infrared and Raman spectra were also predicted from the calculated intensities. Unambiguous vibrational assignment of all the fundamentals were made using the potential energy distribution (PED).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 61, Issue 8, June 2005, Pages 1799-1809
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 61, Issue 8, June 2005, Pages 1799-1809
نویسندگان
V. Krishnakumar, R. John Xavier,