TY - JOUR
T1 - Photoelectron spectroscopy of pyrene cluster anions, (pyrene) n- (n=1-20)
AU - Ando, Naoto
AU - Kokubo, Shinsuke
AU - Mitsui, Masaaki
AU - Nakajima, Atsushi
N1 - Funding Information:
This work is supported by from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Grant-in-Aid for the 21st Century COE program `KEIO LCC' and Young Scientists (B), 14740332, 2003.
PY - 2004/5/11
Y1 - 2004/5/11
N2 - Pyrene molecular anion and its homogeneous clusters, (pyrene) n- (n=2-20), have been studied by anion photoelectron spectroscopy. The adiabatic electron affinity (EAa) of pyrene was directly determined to be 0.406±0.010 eV. This EAa value agrees with that calculated using the method of density functional theory, showing that the excess electron occupies the lowest unoccupied molecular orbital of pyrene molecule. Photoelectron spectra of its cluster anions suggest that the excess electron in the pyrene dimer anion is delocalized over the two pyrene moieties, whereas in larger clusters the excess electron is predominantly localized on a single pyrene molecule.
AB - Pyrene molecular anion and its homogeneous clusters, (pyrene) n- (n=2-20), have been studied by anion photoelectron spectroscopy. The adiabatic electron affinity (EAa) of pyrene was directly determined to be 0.406±0.010 eV. This EAa value agrees with that calculated using the method of density functional theory, showing that the excess electron occupies the lowest unoccupied molecular orbital of pyrene molecule. Photoelectron spectra of its cluster anions suggest that the excess electron in the pyrene dimer anion is delocalized over the two pyrene moieties, whereas in larger clusters the excess electron is predominantly localized on a single pyrene molecule.
UR - http://www.scopus.com/inward/record.url?scp=2342423256&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=2342423256&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2004.03.100
DO - 10.1016/j.cplett.2004.03.100
M3 - Article
AN - SCOPUS:2342423256
SN - 0009-2614
VL - 389
SP - 279
EP - 283
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -