Spectroscopic Fingerprints of Intermolecular H-Bonding Interactions in Carbon Nitride Model Compounds

Chemistry : a European Journal
Valeria LanzilottoC Puglia

Abstract

The effect of intermolecular H-bonding interactions on the local electronic structure of N-containing functional groups (amino group and pyridine-like N) that are characteristic of polymeric carbon nitride materials p-CN(H), a new class of metal-free organophotocatalysts, was investigated. Specifically, the melamine molecule, a building block of p-CN(H), was characterized by X-ray photoelectron (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The molecule was studied as a noninteracting system in the gas phase and in the solid state within a H-bonded network. With the support of DFT simulations of the spectra, it was found that the H-bonds mainly affect the N 1s level of the amino group, leaving the N 1s level of the pyridine-like N mostly unperturbed. This is responsible for a reduction of the chemical shift between the two XPS N 1s levels relative to free melamine. Consequently, N K-edge NEXAFS resonances involving the amino N 1s level also shift to lower photon energies. Moreover, the solid-state absorption spectra showed significant modification/quenching of resonances related to transitions from the amino N 1s level to σ* orbitals involving the NH2 termini.

References

Sep 15, 1988·Physical Review A: General Physics·A D Becke
Jun 15, 1986·Physical Review. B, Condensed Matter·J P Perdew
Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Nov 1, 1993·Physical Review. B, Condensed Matter·G Kresse, J Hafner
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Sep 7, 2006·Journal of Computational Chemistry·Stefan Grimme
Jul 3, 2007·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Miguel Ruiz-OsésJ Enrique Ortega
Nov 11, 2008·Nature Materials·Xinchen WangMarkus Antonietti
Mar 12, 2009·Chemical Communications : Chem Comm·Markus DöblingerWolfgang Schnick
Dec 4, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·Shinobu UemuraMasashi Kunitake
Dec 30, 2014·Journal of the American Chemical Society·Vincent Wing-hei LauBettina V Lotsch
Sep 2, 2015·Physical Chemistry Chemical Physics : PCCP·Roberto Carlos Salvarezza, Pilar Carro
Jan 5, 2017·Journal of Computational Chemistry·Noèlia Pueyo BellafontFrancesc Illas
Jun 9, 2017·Physical Chemistry Chemical Physics : PCCP·T S MillerP F McMillan
Jul 12, 2017·Physical Chemistry Chemical Physics : PCCP·Meiling BaoWei Xu
Nov 8, 2017·The Journal of Physical Chemistry Letters·A SarasolaA Garcia-Lekue

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Citations

Feb 27, 2020·Reports on Progress in Physics·Antoni Franco-CañellasFrank Schreiber
Nov 20, 2019·Nanomaterials·Angelo BracalelloChiara Battocchio
Aug 8, 2021·Nanomaterials·Aldo Ugolotti, Cristiana Di Valentin
Sep 24, 2021·ACS Applied Materials & Interfaces·Yongzhen ChenMats Fahlman

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