Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)

被引：23

作者：

Blankenburg, S. ^{[1
]}

Schmidt, W. G. ^{[1
]}

机构：

[1] Univ Paderborn, D-33095 Paderborn, Germany

来源：

NANOTECHNOLOGY | 2007年 / 18卷 / 42期

关键词：

D O I：

10.1088/0957-4484/18/42/424030

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Glycine adsorbed on Cu(110) forms ( marginally) heterochiral ( 3 x 2) reconstructed overlayers, in contrast to phenylglycine preferring homochiral adsorption. Density-functional theory within generalized gradient approximation is used to identify the origin of this difference. We find the restriction of the molecular relaxation imposed by the phenyl group in conjunction with intermolecular hydrogen bonds to be responsible.

引用

收藏

页数：5

相关论文

共 25 条

[1] On the possibility of kinetic energy density evaluation from the experimental electron-density distribution [J].

Abramov, YA .

ACTA CRYSTALLOGRAPHICA SECTION A, 1997, 53 :264-272

[2]

Bader R. F. W., 1994, Atoms in Molecules: A Quantum Theory

[3] Adsorption of phenylglycine on copper: Density functional calculations [J].

Blankenburg, S. ;

Schmidt, W. G. .

PHYSICAL REVIEW B, 2006, 74 (15)

[4] The formation of enantiospecific phases on a Cu{110} surface [J].

Chen, Q. ;

Lee, C. W. ;

Frankel, D. J. ;

Richardson, N. V. .

PHYSCHEMCOMM, 1999, 2 (09)

[5] Enantiomeric interactions between nucleic acid bases and amino acids on solid surfaces [J].

Chen, Q ;

Richardson, NV .

NATURE MATERIALS, 2003, 2 (05) :324-328

[6] Linear dichroism electron scattering from chiral surfaces [J].

Chen, Q ;

Frankel, DJ ;

Lee, CW ;

Richardson, NV .

CHEMICAL PHYSICS LETTERS, 2001, 349 (3-4) :167-171

[7] Experimental electron density overlapping in hydrogen bonds: topology vs. energetics [J].

Espinosa, E ;

Lecomte, C ;

Molins, E .

CHEMICAL PHYSICS LETTERS, 1999, 300 (5-6) :745-748

[8] About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions [J].

Espinosa, E ;

Alkorta, I ;

Rozas, I ;

Elguero, J ;

Molins, E .

CHEMICAL PHYSICS LETTERS, 2001, 336 (5-6) :457-461

[9] Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities [J].

Espinosa, E ;

Molins, E ;

Lecomte, C .

CHEMICAL PHYSICS LETTERS, 1998, 285 (3-4) :170-173

[10] Fundamental properties of the CH•••O interaction:: Is it a true hydrogen bond? [J].

Gu, YL ;

Kar, T ;

Scheiner, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (40) :9411-9422