1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces.

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

Standard

1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces. / Temprano, I; Thomas, G; Haq, S; Dyer, M S; Latter, E G; Darling, G R; Uvdal, Per; Raval, R.

I: Journal of Chemical Physics, Vol. 142, Nr. 10, 101916, 2015.

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

Harvard

Temprano, I, Thomas, G, Haq, S, Dyer, MS, Latter, EG, Darling, GR, Uvdal, P & Raval, R 2015, '1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces.', Journal of Chemical Physics, vol. 142, nr. 10, 101916. https://doi.org/10.1063/1.4907721

APA

Temprano, I., Thomas, G., Haq, S., Dyer, M. S., Latter, E. G., Darling, G. R., ... Raval, R. (2015). 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces. Journal of Chemical Physics, 142(10), [101916]. https://doi.org/10.1063/1.4907721

CBE

MLA

Vancouver

Author

Temprano, I ; Thomas, G ; Haq, S ; Dyer, M S ; Latter, E G ; Darling, G R ; Uvdal, Per ; Raval, R. / 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces. I: Journal of Chemical Physics. 2015 ; Vol. 142, Nr. 10.

RIS

TY - JOUR

T1 - 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces.

AU - Temprano, I

AU - Thomas, G

AU - Haq, S

AU - Dyer, M S

AU - Latter, E G

AU - Darling, G R

AU - Uvdal, Per

AU - Raval, R

N1 - The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)

PY - 2015

Y1 - 2015

N2 - Adsorption of thymine on a defined Cu(110) surface was studied using reflection-absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), and scanning tunnelling microscopy (STM). In addition, density functional theory (DFT) calculations were undertaken in order to further understand the energetics of adsorption and self-assembly. The combination of RAIRS, TPD, and DFT results indicates that an upright, three-point-bonded adsorption configuration is adopted by the deprotonated thymine at room temperature. DFT calculations show that the upright configuration adopted by individual molecules arises as a direct result of strong O-Cu and N-Cu bonds between the molecule and the surface. STM data reveal that this upright thymine motif self-assembles into 1D chains, which are surprisingly oriented along the open-packed [001] direction of the metal surface and orthogonal to the alignment of the functional groups that are normally implicated in H-bonding interactions. DFT modelling of this system reveals that the molecular organisation is actually driven by dispersion interactions, which cause a slight tilt of the molecule and provide the major driving force for assembly into dimers and 1D chains. The relative orientations and distances of neighbouring molecules are amenable for π-π stacking, suggesting that this is an important contributor in the self-assembly process.

AB - Adsorption of thymine on a defined Cu(110) surface was studied using reflection-absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), and scanning tunnelling microscopy (STM). In addition, density functional theory (DFT) calculations were undertaken in order to further understand the energetics of adsorption and self-assembly. The combination of RAIRS, TPD, and DFT results indicates that an upright, three-point-bonded adsorption configuration is adopted by the deprotonated thymine at room temperature. DFT calculations show that the upright configuration adopted by individual molecules arises as a direct result of strong O-Cu and N-Cu bonds between the molecule and the surface. STM data reveal that this upright thymine motif self-assembles into 1D chains, which are surprisingly oriented along the open-packed [001] direction of the metal surface and orthogonal to the alignment of the functional groups that are normally implicated in H-bonding interactions. DFT modelling of this system reveals that the molecular organisation is actually driven by dispersion interactions, which cause a slight tilt of the molecule and provide the major driving force for assembly into dimers and 1D chains. The relative orientations and distances of neighbouring molecules are amenable for π-π stacking, suggesting that this is an important contributor in the self-assembly process.

U2 - 10.1063/1.4907721

DO - 10.1063/1.4907721

M3 - Article

VL - 142

JO - Journal of Chemical Physics

T2 - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 10

M1 - 101916

ER -