Effect of the tert-butiloxycarbonyl protecting group on the adsorption of protected amino-cyclopentene on the Si(100) surface

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

Authors

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

Journal

Title: Physical Review B

Vol. 75

ISSN: 2469-9950

Publisher: American Physical Society

Indexing

ISI Web of Knowledge - 3 Citations

Scopus - 2 Citations

Scientific classification

FOS: Natural sciences > Physical sciences

Other information

Authenticus ID: P-004-BN9

DOI: 10.1103/physrevb.75.125413

Abstract (EN): In this work, we study the effects of the tert-butiloxycarbonyl protecting group at the adsorption coverage of protected 1-amino-3-cyclopentene (ACP) on the Si(100) surface by using a large cluster with a quantum-mechanical/quantum-mechanical hybrid calculation methodology. We find that at lower coverages, the adsorption energies do not vary significantly from the ones obtained previously for the unprotected ACP form. At medium coverages, we find some energetic deviations that are due to counter-intuitive attractive forces between the adsorbed molecules. These attractive forces make it more probable to find groups of two and three protected ACP (BACP) molecules adsorbed right next to each other. Higher surface coverages, however, seem to be severely affected by geometrical restrictions that should be enough to prevent further adsorption. In the end, we conclude that the protecting group works extremely well and can actually increase the final attainable coverage for ACP on the Si(100) surface.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 5