Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses

被引：67

作者：

Biggs, Jason D. ^{[1
]}

Zhang, Yu ^{[1
]}

Healion, Daniel ^{[1
]}

Mukamel, Shaul ^{[1
]}

机构：

[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2012年 / 136卷 / 17期

基金：

美国国家卫生研究院; 美国国家科学基金会;

关键词：

STATIC-EXCHANGE CALCULATIONS; PUMP-PROBE; VIBRATIONAL SPECTROSCOPY; ELECTRONIC-STRUCTURE; SCATTERING; DYNAMICS; SPECTRA;

D O I：

10.1063/1.4706899

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：

Expressions for the two-dimensional stimulated x-ray Raman spectroscopy (2D-SXRS) signal obtained using attosecond x-ray pulses are derived. The 1D- and 2D-SXRS signals are calculated for trans-N-methyl acetamide (NMA) with broad bandwidth (181 as, 14.2 eV FWHM) pulses tuned to the oxygen and nitrogen K-edges. Crosspeaks in 2D signals reveal electronic Franck-Condon overlaps between valence orbitals and relaxed orbitals in the presence of the core-hole. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4706899]

引用

页数：16

共 79 条

[1] DIRECT, ATOMIC ORBITAL, STATIC EXCHANGE CALCULATIONS OF PHOTOABSORPTION SPECTRA OF LARGE MOLECULES AND CLUSTERS [J].