Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2−

Abstract

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Probing the coupling of a dipole-bound electron with a molecular core

“…DBSs have been suggested to play an important role as a gateway for anion formation 9–12. DBSs can be formed from neutral molecules by Rydberg electron transfer5,13 and have been investigated using photoelectron spectroscopy (PES) 14,15. Stable anions can have dipole-bound excited states near the electron detachment threshold if the neutral cores have large enough dipole moments 16,17.…”

Observation of Excited Quadrupole-Bound States in Cold Anions

“…Fermi and Teller first predicted a critical dipole moment of 1.625 D for a point dipole to bind an electron [7]. Many subsequent theoretical [8][9][10] and experimental [11,12] studies have shown that the practical minimum dipole moment is 2.5 D to form dipole-bound anions, which have been produced via Rydberg electron transfer (RET) [11][12][13] and electron attachment [14,15] and investigated by field detachment and photoelectron spectroscopy (PES). Stable anions with dipolar cores can possess excited DBSs just below the electron detachment threshold.…”

Magnetic-Bottle and velocity-map imaging photoelectron spectroscopy of APS− (A=C14H10 or anthracene): Electron structure, spin-orbit coupling of APS•, and dipole-bound state of APS−

“…Polar molecules can attract an excess electron, creating what is known as a dipole-bound anion [46]. As previously reported, NIPES has become an effective method to probe dipole bound state through observing spectroscopic signatures with strong and sharp peaks at a rather low EBE for species with sufficient dipole moment (>2.5 D) [46][47][48][49]. Our calculations from the B3LYP/6-31++G(d,p) level show that the APS • neutral has a dipole moment of 3.31 Debye which is significantly capable of supporting a DBS.…”