Microscopic detail provided for the adsorption of protected amino-cyclopentene on Si(100)

• Type: Article in International Scientific Journal
• Date: 2007

Authors

Hugo R R Santos (Author) Other; Maria J Ramos (Author) FCUP; Jose A N F Gomes (Author) FCUP

Journal

Title: Chemical Physics Letters

Vol. 448

Pages: 111-114

ISSN: 0009-2614

Publisher: Elsevier

Indexing

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Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: P-004-6BC

DOI: 10.1016/j.cplett.2007.09.064

Abstract (EN): We have studied the adsorption of the protected form of amino-cyclopentene on the Si(100) surface at several coverage densities, using a very large cluster of 21 silicon dimers and a hybrid QM/QM (ONIOM) methodology. We performed linear transit scans for the study, and have understood the process at a microscopic detail. The work has answered all doubts that remained from previous studies, including the fact that the stabilization provided by the carboxylic groups is not due to the formation of hydrogen bonds as previously hypothesized, but to dipole-dipole attractions.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 4