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Core-excitations of naphthalene : Vibrational structure versus chemical shifts

Minkov, Ivaylo (author)
KTH,Bioteknologi,Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden
Gelmukhanov, Faris (author)
KTH,Bioteknologi,Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden, Inst. of Automation and Electrometry, 630090 Novosibirsk, Russian Federation
Friedlein, Rainer (author)
Linköpings universitet,Tekniska högskolan,Ytors Fysik och Kemi
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Osikowicz, Wojciech (author)
Linköpings universitet,Tekniska högskolan,Ytors Fysik och Kemi
Suess, C. (author)
Örhvall, G (author)
Sorensen, S.L. (author)
Dept. of Synchrt. Radiation Research, Institut of Physics, Lund University, P.O. Box 118, 5-221 00 Lund, Sweden
Braun, Slawomir (author)
Linköpings universitet,Tekniska högskolan,Ytors Fysik och Kemi
Murdey, R. (author)
Salaneck, William R (author)
Linköpings universitet,Tekniska högskolan,Ytors Fysik och Kemi
Ågren, Hans (author)
KTH,Bioteknologi,Ågren, H., Theoretical Chemistry, Royal Institute of Technology, Roslagstullsbacken 15, S-106 91 Stockholm, Sweden
Ohrwall, G (author)
Öhrwall, G., Department of Physics, Uppsala University, P.O. Box 530, S-751 21 Uppsala, Sweden
Ristinmaa Sörensen, Stacey (author)
Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
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 (creator_code:org_t)
AIP Publishing, 2004
2004
English.
In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 121:12, s. 5733-5739
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • The initial state chemical shifts and vibrational fine structure of core excitations of naphthalene were analyzed using high-resolution x-ray photoelectron emission (XPS) and near-edge x-ray absorption fine structure (NEXAFS) spectra. The carbon atoms at peripheral sites were found to experience a small chemical shift and exhibit similar charge-vibrational coupling. The C-H stretching modes provide significant contributions to overall shape of spectra in the XPS spectra. The results show that vibrational fine structure dominates by particular C-C stretching modes, and in XPS of C2 and C3 sites also by high-energy C-H stretching modes.

Subject headings

NATURVETENSKAP  -- Kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)
NATURVETENSKAP  -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)

Keyword

Approximation theory
Carbon
Carrier concentration
Electron transitions
Harmonic analysis
Kinetic energy
Mathematical models
Molecular dynamics
Molecular vibrations
Photoemission
Photoionization
Relaxation processes
X ray photoelectron spectroscopy
Chemistry
Kemi
TECHNOLOGY

Publication and Content Type

ref (subject category)
art (subject category)

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