| Literature DB >> 14995770 |
C Desfrançois1, Y Bouteiller, J P Schermann, D Radisic, S T Stokes, K H Bowen, N I Hammer, R N Compton.
Abstract
An excess electron can be bound to a molecule in a very diffuse orbital as a result of the long-range contributions of the molecular electrostatic field. Following a systematic search, we report experimental evidence that quadrupole binding occurs for the trans-succinonitrile molecule (EA=20+/-2 meV), while the gauche-succinonitrile conformer supports a dipole-bound anion state (EA=108+/-10 meV). Theoretical calculations at the DFT/B3LYP level support these interpretations and give electron affinities of 20 and 138 meV, respectively.Entities:
Year: 2004 PMID: 14995770 DOI: 10.1103/PhysRevLett.92.083003
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161