Covalent bonding of CN to the Pt(111) surface

被引：47

作者：

Daum, W

Dederichs, F

Muller, JE

机构：

[1] Forschungszentrum Julich, Inst Grenzflachenforsch & Vakuumphys, D-52425 Julich, Germany

[2] Forschungszentrum Julich, Inst Schicht & Ionentech, D-52425 Julich, Germany

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 80卷 / 04期

关键词：

D O I：

10.1103/PhysRevLett.80.766

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a vibrational study of the CN/Pt(111) system immersed in acetonitrile, using optical sum-frequency generation. Frequencies of 2073 cm(-1) (on-top) and 1861 cm(-1) (hollow), distinctly above and below that of the isolated molecule, demonstrate a covalent CN-metal bond. Cluster calculations show that the strengthening and weakening of the C-N bond at the on-top and hollow sites is due to a surface-induced depletion of the antibonding 4 sigma and bonding 1 pi orbitals, respectively. We illustrate our results with a comparison to the reference CO/Pt(111) system.

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页码：766 / 769

页数：4

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