TY - JOUR
T1 - Effect of the substituent on metal-molecule hybridization
AU - Hori, Masafumi
AU - Katano, Satoshi
AU - Kim, Yousoo
AU - Kawai, Maki
N1 - Funding Information:
The present work was supported, in part, by the Grant-in-Aid for Scientific Research on Priority Areas “Electron transport through a linked molecule in nano-scale” (No. 17069006) and International Joint Research Grant “Molecular wire” project (03BR1) from New Energy Development Organization (NEDO) of Japan. S.K. acknowledges support by the Grant-in-Aid for Young Scientists B (No. 16750022) from the Ministry of Education, Culture, Sports, Science and Technology.
PY - 2008/10/15
Y1 - 2008/10/15
N2 - Local electronic structures of benzoate (C6H5COO-) and aminobenzoate (NH2C6H4COO-) isomers (meta and para) adsorbed on Cu(1 1 0) have been investigated with scanning tunneling microscopy (STM) and spectroscopy (STS) at 4.7 K. STS and molecular orbital calculation study indicate that the energy level of the lowest unoccupied molecular orbital (LUMO) of free meta-aminobenzoate molecule is largely shifted to an lower energy level by adsorption on Cu(1 1 0), whereas an energy shift is relatively small for benzoate and para-aminobenzoate molecules. The large energy shift of LUMO level for meta-aminobenzoate is ascribed to the strong metal-molecule hybridization. It turns out that the electron donation from amino substituent to the phenyl ring plays a key role in this hybridization, which is also influenced by the substituted position.
AB - Local electronic structures of benzoate (C6H5COO-) and aminobenzoate (NH2C6H4COO-) isomers (meta and para) adsorbed on Cu(1 1 0) have been investigated with scanning tunneling microscopy (STM) and spectroscopy (STS) at 4.7 K. STS and molecular orbital calculation study indicate that the energy level of the lowest unoccupied molecular orbital (LUMO) of free meta-aminobenzoate molecule is largely shifted to an lower energy level by adsorption on Cu(1 1 0), whereas an energy shift is relatively small for benzoate and para-aminobenzoate molecules. The large energy shift of LUMO level for meta-aminobenzoate is ascribed to the strong metal-molecule hybridization. It turns out that the electron donation from amino substituent to the phenyl ring plays a key role in this hybridization, which is also influenced by the substituted position.
KW - Aromatics
KW - Density functional calculations
KW - Low index single crystal surfaces
KW - Scanning tunneling microscopy
KW - Scanning tunneling spectroscopies
KW - Surface electrical transport (surface conductivity, surface recombination, etc.)
KW - Surface electronic phenomena (work function, surface potential, surface states, etc.)
KW - Surface structure, morphology, roughness and topography
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U2 - 10.1016/j.susc.2007.10.054
DO - 10.1016/j.susc.2007.10.054
M3 - Article
AN - SCOPUS:53549087245
VL - 602
SP - 3140
EP - 3143
JO - Surface Science
JF - Surface Science
SN - 0039-6028
IS - 20
ER -