Código QR (código de barras bidimensional)

Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers

The relationship between the strength of a halogen bond (XB) and various IR and NMR spectroscopic quantities is assessed through DFT calculations. Three different Lewis acids place a Br or I atom on a phenyl ring; each is paired with a collection of N and O bases of varying electron donor power. The...

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Principais autores: Akhtam Amonov, Steve Scheiner
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2023-11-01
Serier:Molecules
Fag:
chemical shift
coupling constant
blue shift
AIM
Online adgang:https://www.mdpi.com/1420-3049/28/22/7520
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