Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111)

Ouyang, R; Yan, J; Jensen, PS; Ascic, E; Gan, S; Tanner, D; Mao, B; Niu, L; Zhang, J; Tang, C; Hush, NS; Reimers, JR; Ulstrup, J

Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111)

Ouyang, R Yan, J Jensen, PS Ascic, E Gan, S Tanner, D Mao, B Niu, L Zhang, J Tang, C Hush, NS Reimers, JR Ulstrup, J

Permalink

Publisher:: Wiley-VCH Verlag
Publication Type:: Journal Article
Citation:: ChemPhysChem, 2015, 16 (5), pp. 928 - 932
Issue Date:: 2015-04-07

Closed Access

	Filename	Description	Size
	cpc15-oyjagtmnzthru15-racemic-2butanethiol.pdf	Published Version	4.35 MB		View/Open

Copyright Clearance Process

Recently Added
In Progress
Closed Access

This item is closed access and not available.

Full metadata record

Field	Value	Language
dc.contributor.author	Ouyang, R
dc.contributor.author	Yan, J
dc.contributor.author	Jensen, PS
dc.contributor.author	Ascic, E
dc.contributor.author	Gan, S
dc.contributor.author	Tanner, D
dc.contributor.author	Mao, B
dc.contributor.author	Niu, L
dc.contributor.author	Zhang, J
dc.contributor.author	Tang, C
dc.contributor.author	Hush, NS
dc.contributor.author	Reimers, JR
dc.contributor.author	Ulstrup, J
dc.date.accessioned	2015-05-19T13:25:02Z
dc.date.issued	2015-04-07
dc.identifier.citation	ChemPhysChem, 2015, 16 (5), pp. 928 - 932
dc.identifier.issn	1439-4235
dc.identifier.uri	http://hdl.handle.net/10453/35699
dc.description.abstract	In situ scanning tunneling microscopy combined with density functional theory molecular dynamics simulations reveal a complex structure for the self-assembled monolayer (SAM) of racemic 2-butanethiol on Au(111) in aqueous solution. Six adsorbate molecules occupy a (10×√3)R30 cell organized as two RSAuSR adatom-bound motifs plus two RS species bound directly to face-centered-cubic and hexagonally close-packed sites. This is the first time that these competing head-group arrangements have been observed in the same ordered SAM. Such unusual packing is favored as it facilitates SAMs with anomalously high coverage (30 %), much larger than that for enantiomerically resolved 2-butanethiol or secondary-branched butanethiol (25 %) and near that for linear-chain 1-butanethiol (33 %).
dc.language	eng
dc.publisher	Wiley-VCH Verlag
dc.relation.ispartof	ChemPhysChem
dc.relation.isbasedon	10.1002/cphc.201402904
dc.relation.isreplacedby	10453/37976
dc.relation.isreplacedby	http://hdl.handle.net/10453/37976
dc.subject	density functional theory
dc.subject	dispersion
dc.subject	scanning tunneling microscopy
dc.subject	steric effects
dc.subject	thiolate
dc.title	Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111)
dc.type	Journal article
utslib.citation.volume	5
utslib.citation.volume	16
pubs.embargo.period	Not known
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
utslib.copyright.status	closed_access
pubs.declined	1970-01-01T00:00:00.0+1000
pubs.merge-to	10453/37976
pubs.merge-to	http://hdl.handle.net/10453/37976
pubs.deleted	1970-01-01T00:00:00.0+1000

Abstract:

In situ scanning tunneling microscopy combined with density functional theory molecular dynamics simulations reveal a complex structure for the self-assembled monolayer (SAM) of racemic 2-butanethiol on Au(111) in aqueous solution. Six adsorbate molecules occupy a (10×√3)R30 cell organized as two RSAuSR adatom-bound motifs plus two RS species bound directly to face-centered-cubic and hexagonally close-packed sites. This is the first time that these competing head-group arrangements have been observed in the same ordered SAM. Such unusual packing is favored as it facilitates SAMs with anomalously high coverage (30 %), much larger than that for enantiomerically resolved 2-butanethiol or secondary-branched butanethiol (25 %) and near that for linear-chain 1-butanethiol (33 %).

Please use this identifier to cite or link to this item:

http://hdl.handle.net/10453/35699