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

被引：10

作者：

Buytendyk, A. M. ^{[1
]}

Buonaugurio, A. M. ^{[1
]}

Xu, S. -J. ^{[1
]}

Nilles, J. M. ^{[1
]}

Bowen, K. H. ^{[1
]}

Kirnosov, N. ^{[2
]}

Adamowicz, L. ^{[3
,4
]}

机构：

[1] Johns Hopkins Univ, Dept Chem, Charles & 34Th St, Baltimore, MD 21218 USA

[2] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA

[3] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA

[4] Univ Arizona, Dept Biochem, Tucson, AZ 85721 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2016年 / 145卷 / 02期

基金：

美国国家科学基金会;

关键词：

AB-INITIO CALCULATIONS; 1ST EXCITED-STATE; GROUND-STATE; WATER-MOLECULES; INDOLE-WATER; CLUSTERS; ACID;

D O I：

10.1063/1.4954937

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H2O)(1,2)(-). The photoelectron spectra of both cluster anions show the characteristics of dipole-bound anions, and this is confirmed by our theoretical computations. The experimentally determined vertical electron detachment (VDE) energies for indole(H2O)(1)(-) and indole(H2O)(2)(-) are 144 meV and 251 meV, respectively. The corresponding theoretically determined VDE values for indole(H2O)(1)(-) and indole(H2O)(2)(-) are 124 meV and 255 meV, respectively. The vibrational features in the photoelectron spectra of these cluster anions are assigned as the vibrations of the water molecule. Published by AIP Publishing.

引用

页数：7

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