Premium
Hydrogen‐Bonding Fingerprints in Electronic States of Two‐Dimensional Supramolecular Assemblies
Author(s) -
GonzalezLakunza Nora,
CañasVentura Marta E.,
Ruffieux Pascal,
Rieger Ralph,
Müllen Klaus,
Fasel Roman,
Arnau Andrés
Publication year - 2009
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200900722
Subject(s) - supramolecular chemistry , intramolecular force , hydrogen bond , polarization (electrochemistry) , anisotropy , chemical physics , electronic structure , molecular orbital , chemistry , charge (physics) , crystallography , computational chemistry , physics , molecule , stereochemistry , crystal structure , quantum mechanics , organic chemistry
Induced charge polarization: Different hydrogen‐bonding configurations have a distinct impact on the electronic structure of 2D assemblies, as shown by STS experiments. First‐principles DFT calculations reveal that an intramolecular charge polarization induced by anisotropic strong triple hydrogen bonds is at the origin of the observed frontier molecular orbital energy level shifts (see picture).