Photoemission and Photoabsorption Spectroscopy of Glycyl-Glycine in the Gas Phase

被引：47

作者：

Feyer, Vitaliy ^{[1
]}

Plekan, Oksana ^{[1
]}

Richter, Robert ^{[1
]}

Coreno, Marcello ^{[2
]}

Prince, Kevin C. ^{[1
,3
]}

Carravetta, Vincenzo ^{[4
]}

机构：

[1] Sincrotrone Trieste, I-34012 Trieste, Italy

[2] CNR IMIP, I-00016 Rome, Italy

[3] CNR INFM, Lab Nazl TASC, I-34012 Trieste, Italy

[4] CNR Inst Chem Phys Proc, I-56124 Pisa, Italy

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2009年 / 113卷 / 40期

关键词：

X-RAY-ABSORPTION; ENERGY-LOSS SPECTROSCOPY; INNER-SHELL EXCITATION; AMINO-ACIDS; PHOTOELECTRON-SPECTRA; ELECTRONIC-STRUCTURE; IONIZATION ENERGIES; GASEOUS GLYCINE; SMALL MOLECULES; ALANINE;

D O I：

10.1021/jp906843j

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The high-resolution outer and inner valence band (VB) spectra, as well as core level X-ray photoemission (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectra at the carbon, nitrogen, and oxygen K-edges of glycyl-glycine in the gas phase have been measured, and the results interpreted by means of ab initio calculations. By comparison with our previous glycine spectra, the features characteristic of the peptide bond in the carbon, nitrogen, and oxygen XPS and NEXAFS spectra of glycyl-glycine have been identified and assigned. The K-edge NEXAFS spectra at all edges were found to be in reasonable agreement with published electron energy loss spectra, but showed more prominent structure due to the higher resolution. Effects on the nitrogen K-edge NEXAFS spectrum of glycyl-glycine due to intramolecular hydrogen bonding were observed. The N(NH(2)) 1s -> pi(CN)* resonance shifts to 0.6 eV lower energy, due to internal hydrogen bonding between the NH(2) and NH groups.

引用

收藏

页码：10726 / 10733

页数：8

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