Abstract
Preliminary calculations based on a simple model give a good description of the molecular orientation and packing of alkanethiol monolayers on gold surfaces. These calculations suggest that alkanethiol molecules on gold have a total alkyl chain axis tilt of approximately 38° in a plane that bisects the methylene H-C-H angles, followed by a rotation about the alkyl chain axis of ≈46°. The alkyl chain tilt is a function of the sulfur-sulfur spacing in a hexagonal crystal lattice layer and maximizes the attractive interactions between neighboring molecules. These results are in agreement with the molecular orientations obtained from grazing angle FTIR experiments on dodecanethiol monolayers on a (111) gold surface.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 1147-1152 |
| Number of pages | 6 |
| Journal | Langmuir |
| Volume | 5 |
| Issue number | 5 |
| State | Published - 1989 |
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ASJC Scopus subject areas
- Colloid and Surface Chemistry
- Physical and Theoretical Chemistry
Cite this
Packing and molecular orientation of alkanethiol monolayers on gold surfaces. / Ulman, Abraham; Eilers, James E.; Tillman, Nolan.
In: Langmuir, Vol. 5, No. 5, 1989, p. 1147-1152.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Packing and molecular orientation of alkanethiol monolayers on gold surfaces
AU - Ulman, Abraham
AU - Eilers, James E.
AU - Tillman, Nolan
PY - 1989
Y1 - 1989
N2 - Preliminary calculations based on a simple model give a good description of the molecular orientation and packing of alkanethiol monolayers on gold surfaces. These calculations suggest that alkanethiol molecules on gold have a total alkyl chain axis tilt of approximately 38° in a plane that bisects the methylene H-C-H angles, followed by a rotation about the alkyl chain axis of ≈46°. The alkyl chain tilt is a function of the sulfur-sulfur spacing in a hexagonal crystal lattice layer and maximizes the attractive interactions between neighboring molecules. These results are in agreement with the molecular orientations obtained from grazing angle FTIR experiments on dodecanethiol monolayers on a (111) gold surface.
AB - Preliminary calculations based on a simple model give a good description of the molecular orientation and packing of alkanethiol monolayers on gold surfaces. These calculations suggest that alkanethiol molecules on gold have a total alkyl chain axis tilt of approximately 38° in a plane that bisects the methylene H-C-H angles, followed by a rotation about the alkyl chain axis of ≈46°. The alkyl chain tilt is a function of the sulfur-sulfur spacing in a hexagonal crystal lattice layer and maximizes the attractive interactions between neighboring molecules. These results are in agreement with the molecular orientations obtained from grazing angle FTIR experiments on dodecanethiol monolayers on a (111) gold surface.
UR - http://www.scopus.com/inward/record.url?scp=0024738192&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0024738192&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0024738192
VL - 5
SP - 1147
EP - 1152
JO - Langmuir
JF - Langmuir
SN - 0743-7463
IS - 5
ER -