TY - JOUR
T1 - Dipole-bound anion of 1,3-butanediol. Ab initio and Rydberg electron transfer spectroscopy study
AU - Carles, S.
AU - Desfrançois, C.
AU - Schermann, J. P.
AU - Jalbout, A. F.
AU - Adamowicz, Ludwik
PY - 2001/2/9
Y1 - 2001/2/9
N2 - Rydberg electron transfer spectroscopy (RET) has been used to determine the dipole-bound (DB) electron affinity (EA) of 1,3-butanediol and a single spectral feature was obtained corresponding to the EA value of 8±1 meV. A series of high-level ab initio calculations were also carried out for this system. They revealed an interesting configuration landscape of the 1,3-butanediol DB anion with four minima corresponding to different configurations. All four configurations can be responsible for the single RET spectral peak.
AB - Rydberg electron transfer spectroscopy (RET) has been used to determine the dipole-bound (DB) electron affinity (EA) of 1,3-butanediol and a single spectral feature was obtained corresponding to the EA value of 8±1 meV. A series of high-level ab initio calculations were also carried out for this system. They revealed an interesting configuration landscape of the 1,3-butanediol DB anion with four minima corresponding to different configurations. All four configurations can be responsible for the single RET spectral peak.
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U2 - 10.1016/S0009-2614(00)01455-X
DO - 10.1016/S0009-2614(00)01455-X
M3 - Article
AN - SCOPUS:0042879774
VL - 334
SP - 374
EP - 380
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-6
ER -