Insights into Proton Dynamics in a Photofunctional Salt-Cocrystal Continuum: Single-Crystal X-ray, Neutron Diffraction, and Hirshfeld Atom Refinement.
Chemistry
; 27(71): 17802-17807, 2021 Dec 20.
Article
em En
| MEDLINE
| ID: mdl-34751473
ABSTRACT
X-ray diffraction, neutron diffraction, and theoretical calculations were used to investigate the relationship between the optical properties and degree of protonation in acid-base complexes. We prepared five acid-base complexes by using a pyridine-modified pyrrolopyrrole derivative and salicylic acid. Two of the prepared acid-base complexes were polymorphs of guest-free crystals with green emission; the other three were guest-inclusion crystals with yellow emission containing CH2 Cl2 , CH2 Br2 , or C2 H4 Cl2 . The presence or absence of guests caused the emission to change color, altering the hydrogen bond strength between the acid-base complexes. Accurate Nâ
â
â
H distances between the pyridyl moiety and the carboxy group over the temperature range 123 to 273â
K were 1.40â
Å for the guest-free crystals and 1.25â
Å for the guest-inclusion crystals. Our findings contribute to a better understanding of the complex relationship between photofunction and proton dynamics in acid-base complexes.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Chemistry
Assunto da revista:
QUIMICA
Ano de publicação:
2021
Tipo de documento:
Article
País de afiliação:
Japão