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Adsorption Sequence of Multifunctional Groups: A Study on the Reaction Pathway and the Adsorption Structure of Homocysteine on the Ge(100) Surface
Author(s) -
Park Youngchan,
Lee Myungjin,
Lee Hangil
Publication year - 2013
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201300124
Subject(s) - adsorption , chemistry , monolayer , dissociation (chemistry) , density functional theory , molecule , crystallography , functional group , homocysteine , electronic structure , stereochemistry , computational chemistry , organic chemistry , biochemistry , polymer
We investigated the adsorption mechanism of homocysteine (HSCH 2 CH 2 CH(NH 2 )COOH) on the Ge(100) surface along with its electronic structures and adsorption geometries to determine the sequence of adsorption of this amino acid′s functional groups using core‐level photoemission spectroscopy (CLPES) in conjunction with density functional theory (DFT) calculations. We found that the “SH‐dissociated OH‐dissociated N‐dative‐bonded structure” and the “SH‐dissociated OH‐dissociation‐bonded structure” were preferred at a monolayer (ML) coverage of 0.30 (lower coverage) and 0.60 (higher coverage), respectively. The “SH‐dissociated OH‐dissociated N‐dative‐bonded structure” was the most stable structure. Moreover, we systematically confirmed the sequence of adsorption of the functional groups of the homocysteine molecule on the Ge(100) surface, which is thiol group (SH), carboxyl group (COOH), and amine group (NH 2 ).