کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5143043 1379134 2017 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Unusually high electron density in an intermolecular non-bonding region: Role of metal substrate
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Unusually high electron density in an intermolecular non-bonding region: Role of metal substrate
چکیده انگلیسی
We present a systematical density functional theory study on adsorbed bis(para-pyridyl)acetylene (BPPA) tetramer on Au(111) surface. Exceptionally large electron densities are found between two N atoms at an intermolecular “non-bonded” region, as observed a line-like feature in atomic force microscopy images. They originate from the N-Au-N three-center bonding which effectively compressed two lone electron pairs together forming non-bonding hybridization between two N atoms.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chinese Chemical Letters - Volume 28, Issue 4, April 2017, Pages 759-764
نویسندگان
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