Gas-phase electronic spectrum of the indole radical cation

被引：10

作者：

Chalyavi, N. ^{[1
]}

Catani, K. J. ^{[1
]}

Sanelli, J. A. ^{[1
]}

Dryza, V. ^{[1
]}

Bieske, E. J. ^{[1
]}

机构：

[1] Univ Melbourne, Sch Chem, Melbourne, Vic, Australia

来源：

MOLECULAR PHYSICS | 2015年 / 113卷 / 15-16期

基金：

澳大利亚研究理事会;

关键词：

nitrogen heterocycle; laser spectroscopy; molecular cation; photodissociation spectroscopy; VAN-DER-WAALS; MICROWAVE-SPECTRUM; AROMATIC-MOLECULES; SPECTROSCOPY; COMPLEXES; NITROGEN; BENZENE;

D O I：

10.1080/00268976.2014.1001456

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：

The visible and near-UV electronic spectrum of the indole radical cation is measured in the gas phase by photodissociation of indole(+)-Ar and indole(+)-He complexes in a tandem mass spectrometer. A series of resolved vibronic transitions extending from 610 to 460 nm are assigned to the D-2 <- D-0 band system, while weak transitions between 390 and 360nm are assigned to the D-3 <- D-0 system, and a stronger, broad, unresolved absorption between 350 and 300nm is attributed to the D-4 <- D-0 system. Time-dependent density functional theory calculations are used to assign vibronic structure of the D-2 <- D-0 band system, and show that the main active vibrational modes correspond to in-plane ring deformations. The strongest D-2 <- D-0 vibronic transitions of indole(+)-He do not correspond with any catalogued diffuse interstellar bands, even considering band displacements of up to 50cm(-1)possibly caused by the attached He atom.

引用

页码：2086 / 2094

页数：9

共 35 条

[1] Synchrotron-based highest resolution Fourier transform infrared spectroscopy of naphthalene (C10H8) and indole (C8H7N) and its application to astrophysical problems [J].