Torsions of N-methylpyrrole and its cation

被引：7
作者：
Davies, Alexander R. [1 ]
Kemp, David J. [1 ]
Wright, Timothy G. [1 ]
机构：
[1] Univ Nottingham, Sch Chem, Univ Pk, Nottingham NG7 2RD, England
来源：
CHEMICAL PHYSICS LETTERS | 2021年 / 763卷
基金：
英国工程与自然科学研究理事会;
关键词：
N-methylpyrrole; REMPI; ZEKE; 2D-LIF; Torsion; Fluorescence; Ionization; INTERNAL-ROTATION; SPECTROSCOPY; PYRROLE; SPECTRA; STATES; PROBE; S-0;
D O I：
10.1016/j.cplett.2020.138227
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：
Torsional levels in N-methylpyrrole are investigated in the ground (S-0) and first excited (S-1) neutral states using two-dimensional laser-induced fluorescence (2D-LIF), and in the ground state cation (D-0(+)) using zero-electronkinetic-energy (ZEKE) spectroscopy. The ZEKE spectra confirm the largely Rydberg nature of the S-1 state. The activity seen in both the 2D-LIF and ZEKE spectra are indicative of vibronic (including torsional) interactions and torsional potentials in the three electronic states are deduced, and are consistent with calculated geometries. The adiabatic ionization energy of N-methylpyrrole is derived as 64250 +/- 5 cm(-1).
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页数：7
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