Infrared Spectroscopy of Fluorenyl Cations at Cryogenic Temperatures

被引：0

作者：

Greis, Kim ^{[1
,2
,3
]}

Kirschbaum, Carla ^{[1
,2
,4
]}

Ober, Katja ^{[1
]}

Taccone, Martin I. ^{[1
]}

Torres-Boy, America Y. ^{[1
]}

Meijer, Gerard ^{[1
]}

Pagel, Kevin ^{[1
,2
]}

von Helden, Gert ^{[1
]}

机构：

[1] Fritz Haber Inst Max Planck Soc, D-14195 Berlin, Germany

[2] Free Univ Berlin, Inst Chem & Biochem, D-14195 Berlin, Germany

[3] Swiss Fed Inst Technol, Dept Chem & Appl Biosci, Organ Chem Lab, Vladimir Prelog Weg 10, CH-8093 Zurich, Switzerland

[4] Univ Oxford, Kavli Inst Nanosci Discovery, South Parks Rd, Oxford OX1 3QU, England

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2023年 / 14卷 / 50期

关键词：

9-FLUORENYL CATION; ANTIAROMATICITY; AROMATICITY; THERMOCHEMISTRY; CARBOCATIONS;

D O I：

10.1021/acs.jpclett.3c02928

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 notion of (anti)aromaticity is a successful concept in chemistry to explain the structure and stability of polycyclic hydrocarbons. Cyclopentadienyl and fluorenyl cations are among the most studied classical antiaromatic systems. In this work, fluorenyl cations are investigated by high-resolution gas-phase infrared spectroscopy in helium droplets. Bare fluorenyl cations are generated in the gas phase by electrospray ionization. After mass-to-charge selection, ions are captured in ultracold helium nanodroplets and probed by infrared spectroscopy using a widely tunable free-electron laser in the 600-1700 cm(-1) range. The highly resolved cryogenic infrared spectra confirm, in combination with DFT computations, that all cations are present in their singlet states.

引用

页码：11313 / 11317

页数：5

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