English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Vibrational Spectroscopy of Fluoroformate, FCO2-, Trapped in Helium Nanodroplets

Thomas, D., Mucha, E., Gewinner, S., Schöllkopf, W., Meijer, G., & Helden, G. v. (2018). Vibrational Spectroscopy of Fluoroformate, FCO2-, Trapped in Helium Nanodroplets. The Journal of Physical Chemistry Letters, 9(9), 2305-2310. doi:10.1021/acs.jpclett.8b00664.

Item is

Basic

show hide
Genre: Journal Article

Files

show Files
hide Files
:
FCO2-_20180326_JPCLett_unlinked.pdf (Any fulltext), 640KB
 
File Permalink:
-
Name:
FCO2-_20180326_JPCLett_unlinked.pdf
Description:
-
OA-Status:
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
2018
Copyright Info:
ACS
License:
-
:
FCO2-_201803026_JPCLett_SI_unlinked.pdf (Supplementary material), 789KB
Name:
FCO2-_201803026_JPCLett_SI_unlinked.pdf
Description:
-
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
2018
Copyright Info:
-
License:
-

Locators

show

Creators

show
hide
 Creators:
Thomas, Daniel1, Author           
Mucha, Eike1, Author           
Gewinner, Sandy1, Author           
Schöllkopf, Wieland1, Author           
Meijer, Gerard1, Author           
Helden, Gert von1, Author           
Affiliations:
1Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              

Content

show
hide
Free keywords: -
 Abstract: Fluoroformate, also known as carbonofluoridate, is an intriguing molecule readily formed by the reductive derivatization of carbon dioxide. In spite of its well-known stability, a detailed structural characterization of the isolated anion has yet to be reported. Presented in this work is the vibrational spectrum of fluoroformate obtained by infrared action spectroscopy of ions trapped in helium nanodroplets, the first application of this technique to a molecular anion. The experimental method yields narrow spectral lines, providing experimental constraints on the structure that can be accurately reproduced using high-level ab initio methods. In addition, two notable Fermi resonances between a fundamental and combination band are observed. The electrostatic potential map of fluoroformate reveals substantial charge density on fluorine as well as on the oxygen atoms, suggesting multiple sites for interaction with hydrogen bond donors and electrophiles, which may in turn lead to intriguing solvation structures and reaction pathways.

Details

show
hide
Language(s): eng - English
 Dates: 2018-03-022018-04-182018-04-182018-05-03
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/acs.jpclett.8b00664
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: The Journal of Physical Chemistry Letters
  Abbreviation : J. Phys. Chem. Lett.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 9 (9) Sequence Number: - Start / End Page: 2305 - 2310 Identifier: CoNE: https://pure.mpg.de/cone/journals/resource/1948-7185