A QM/MM Study on the X-ray Spectra of Organic Proton Transfer Crystals of Isonicotinamides-Reference-Cited by-同舟云学术

A QM/MM Study on the X-ray Spectra of Organic Proton Transfer Crystals of Isonicotinamides

Published:2022-09-08 Issue:37 Volume:126 Page:15849-15863
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Ge Guoyan¹,Zhang Jun-Rong¹,Wang Sheng-Yu¹,Wei Minrui¹,Hua Weijie¹^ORCID

Affiliation:

1. MIIT Key Laboratory of Semiconductor Microstructure and Quantum Sensing, Department of Applied Physics, School of Science, Nanjing University of Science and Technology, 210094 Nanjing, China

Funder

Government of Jiangsu Province

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.2c05405

Reference82 articles.

1. Salt or Co-Crystal? Determination of Protonation State by X-Ray Photoelectron Spectroscopy (XPS)

2. Characterization of Proton Transfer in Co-Crystals by X-ray Photoelectron Spectroscopy (XPS)

3. Proton Transfer, Hydrogen Bonding, and Disorder: Nitrogen Near-Edge X-ray Absorption Fine Structure and X-ray Photoelectron Spectroscopy of Bipyridine–Acid Salts and Co-crystals

4. Identification of Protonation State by XPS, Solid-State NMR, and DFT: Characterization of the Nature of a New Theophylline Complex by Experimental and Computational Methods

5. Crystallography Aided by Atomic Core-Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures

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