期刊
CHEMPHYSCHEM
卷 7, 期 2, 页码 524-528出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.200500495
关键词
amino acids; charge transfer; density functional calculations; laser spectroscopy; silver
We present a joint experimental and theoretical investigation of the electronic excitation spectra of the tryptophan-silver complex. The photodissociation spectrum of gas-phase [Trp-Ag](+) was measured from 215 to 330 nm using a quadrupole ion trap coupled to an optical parametric-oscillator laser. The calculated time-dependent density functional theory (TD-DFT) absorption spectra for different prototypes of structures are presented. Low-energy transitions that are experimentally observed ore only calculated for the charge-solvation (3) structures. These transitions are a signature of the metal-pi interaction in [Trp-Ag](+). The recorded spectrum is compared to a Boltzmann average of the absorption spectrum obtained from direct molecular dynamics (MD) simulations involving simultaneous transitions to excited states based on semiempirical configuration interaction (0) calculations. The results demonstrate that charge transfer can be photoinduced from the indole ring to the silver atom.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据