کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9585436 1392339 2005 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
C 1s and O 1s photoelectron spectra of formaldehyde with satellites: theory and experiment
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
C 1s and O 1s photoelectron spectra of formaldehyde with satellites: theory and experiment
چکیده انگلیسی
Shake-up satellite spectra accompanying the C 1s and O 1s photoelectron main lines of formaldehyde were studied by the combination of high-resolution X-ray photoelectron spectroscopy and accurate ab initio calculations. The symmetry adapted cluster-configuration interaction (SAC-CI) general-R method finely reproduced the details of the experimental spectra and enabled quantitative assignments for the seven satellite bands: some were newly interpreted. The shake-up transitions were mainly attributed to the valence excitations accompanying the inner-shell ionization. The Rydberg excitations were found to be minor. Three-electron processes such as 1s−1n−2π*2 and 1s−1π−2π*2 were predicted in the low-energy region where the valence shake-up states such as 1s−1n-σ*, π-π* exist.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 142, Issue 3, March 2005, Pages 253-259
نویسندگان
, , , , , , , ,