A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors

A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors

Two new aromatic pyrimidine-based derivatives designed specifically for halogen bond directed self-assembly are investigated through a combination of high-resolution Raman spectroscopy, X-ray crystallography, and computational quantum chemistry. The vibrational frequencies of these new molecular bui...

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Bibliographic Details
Main Authors: April E. S. Hardin, Thomas L. Ellington, Suong T. Nguyen, Arnold L. Rheingold, Gregory S. Tschumper, Davita L. Watkins, Nathan I. Hammer
Format: Article
Language:English
Published: MDPI AG 2019-10-01
Series:Inorganics
Subjects:
halogen bonding
sigma–hole interactions
molecular recognition
self-assembly
supramolecular structures
crystal engineering
computational chemistry
supramolecular chemistry
vibrational spectroscopy
noncovalent interactions
Online Access:https://www.mdpi.com/2304-6740/7/10/119

Internet

https://www.mdpi.com/2304-6740/7/10/119

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