کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5450468 1398504 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ligand effects on the structure and vibrational properties of the thiolated Au18 cluster
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
Ligand effects on the structure and vibrational properties of the thiolated Au18 cluster
چکیده انگلیسی
Most of the studies devoted to thiolated gold clusters suppose that their core and Au-S framework do not suffer from distortion independently of the protecting ligands (-SR) and it is assumed as correct to simplify the ligand as SCH3. In this work is delivered a systematic study of the structure and vibrational properties (IR and Raman) of the Au18(SR)14 cluster. The pursued goal is to understand the dependency of the displayed vibrational properties of the thiolated Au18 cluster with the ligands type. A set of six ligands was considered during calculations of the vibrational properties based on density functional theory (DFT) and in its dispersion-corrected approach (DFT-D).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Progress in Natural Science: Materials International - Volume 26, Issue 5, October 2016, Pages 510-515
نویسندگان
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