An ab initio study on the structure, energetics and spectra of F(CO2)n−: the observation on the strong F–CO2 bond
Author:
Affiliation:
1. Theoretical Chemistry Section
2. Chemistry Division
3. Chemistry Group
4. Bhabha Atomic Research Centre
5. Mumbai-400085
Abstract
Bulk VDE and SE values decrease from fluoride to iodide (F− > Cl− > Br− > I−) in both CO2 and H2O.
Funder
Department of Atomic Energy, Government of India
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D1NJ00796C
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1. Structure and dynamics of hydrated ions
2. Spectroscopic Determination of the OH − Solvation Shell in the OH − ·(H 2 O) n Clusters
3. Infrared Signature of Structures Associated with the H + (H 2 O) n ( n = 6 to 27) Clusters
4. The Glycine–Water Complex
5. Hydrated Alkali-Metal Cations: Infrared Spectroscopy and ab Initio Calculations of M+(H2O)x=2−5Ar cluster ions for M = Li, Na, K, and Cs
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