TY - JOUR
T1 - Electronic and molecular structures of α,ω-diphenylpolyynes in the lowest excited triplet states
AU - Nagano, Yasutomo
AU - Ikoma, Tadaaki
AU - Akiyama, Kimio
AU - Tero-Kubota, Shozo
PY - 1999/4/2
Y1 - 1999/4/2
N2 - Unusually large D values of zero-field splitting parameters were observed for 1,6-diphenylhexatriyne (D=0.396 cm-1) and 1,8-diphenyloctatetrayne (D=0.533 cm-1) by using time-resolved EPR (TREPR) spectroscopy. The lowest excited triplet (T1) states of these diphenylpolyynes were assigned to 3B1u(3πxπ *x) in character from the degree of the polarization of phosphorescence. It has been concluded that the present diphenylpolyynes have a linear planar structure in the T1 states, although the TREPR and phosphorescence spectra indicate interactions between the T1(3πxπ*x) and Tn(3πxπ*y) states through spin-orbit and vibronic interactions.
AB - Unusually large D values of zero-field splitting parameters were observed for 1,6-diphenylhexatriyne (D=0.396 cm-1) and 1,8-diphenyloctatetrayne (D=0.533 cm-1) by using time-resolved EPR (TREPR) spectroscopy. The lowest excited triplet (T1) states of these diphenylpolyynes were assigned to 3B1u(3πxπ *x) in character from the degree of the polarization of phosphorescence. It has been concluded that the present diphenylpolyynes have a linear planar structure in the T1 states, although the TREPR and phosphorescence spectra indicate interactions between the T1(3πxπ*x) and Tn(3πxπ*y) states through spin-orbit and vibronic interactions.
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U2 - 10.1016/S0009-2614(99)00189-X
DO - 10.1016/S0009-2614(99)00189-X
M3 - Article
AN - SCOPUS:0043283437
VL - 303
SP - 201
EP - 208
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-2
ER -