Local Vibrational Mode Analysis of <i>π</i>–Hole Interactions between Aryl Donors and Small Molecule Acceptors

Local Vibrational Mode Analysis of <i>π</i>–Hole Interactions between Aryl Donors and Small Molecule Acceptors

11 aryl–lone pair and three aryl–anion <inline-formula> <math display="inline"> <semantics> <mi>π</mi> </semantics> </math> </inline-formula>–hole interactions are investigated, along with the argon–benzene dimer and water dimer as reference...

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Bibliographic Details
Main Authors: Seth Yannacone, Marek Freindorf, Yunwen Tao, Wenli Zou, Elfi Kraka
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Crystals
Subjects:
π–hole interaction
substituent effects
vibrational spectroscopy
local vibrational mode theory
direct measure for π–hole interaction strength
noncovalent interaction
Online Access:https://www.mdpi.com/2073-4352/10/7/556

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