Influence of High Pressure on the Pedal-like Motion and Photoreactivity in the Cocrystals of 1,2-Di(4-pyridyl)ethylene with trans-2-(4-Fluorophenyl)vinylboronic Acid

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00566047" target="_blank" >RIV/61388963:_____/23:00566047 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1021/acs.cgd.2c00975" target="_blank" >https://doi.org/10.1021/acs.cgd.2c00975</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.cgd.2c00975" target="_blank" >10.1021/acs.cgd.2c00975</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Influence of High Pressure on the Pedal-like Motion and Photoreactivity in the Cocrystals of 1,2-Di(4-pyridyl)ethylene with trans-2-(4-Fluorophenyl)vinylboronic Acid

Popis výsledku v původním jazyce

The photochemical properties of 1,2-di(4-pyridyl)ethylene (bpe) and trans-2-(4-fluorophenyl)vinylboronic acid (fpvb) cocrystals have been investigated using complementary techniques: single-crystal X-ray diffraction, including high-pressure experiments, solid-state and solution nuclear magnetic resonance, and density functional theory calculations. The photochemistry of bpe and fpvb cocrystals strongly depends on the arrangement of bpe molecules. The [2 + 2] photodimerization of bpe occurs in the case of the bpe/fpvb ratio of 1:1, while a ratio of 1:2 is observed in photoinert objects. In the photoreactive cocrystals, a pedal-like motion occurs in bpe molecules. This phenomenon strongly affects photoreactivity because it changes the mutual geometry of two reactant molecules. The intermolecular geometry and the kinetics of the pedal-like motion, and thereby, the kinetics of the [2 + 2] photodimerization of bpe, have been modified by means of high pressure.

Název v anglickém jazyce

Influence of High Pressure on the Pedal-like Motion and Photoreactivity in the Cocrystals of 1,2-Di(4-pyridyl)ethylene with trans-2-(4-Fluorophenyl)vinylboronic Acid

Popis výsledku anglicky

The photochemical properties of 1,2-di(4-pyridyl)ethylene (bpe) and trans-2-(4-fluorophenyl)vinylboronic acid (fpvb) cocrystals have been investigated using complementary techniques: single-crystal X-ray diffraction, including high-pressure experiments, solid-state and solution nuclear magnetic resonance, and density functional theory calculations. The photochemistry of bpe and fpvb cocrystals strongly depends on the arrangement of bpe molecules. The [2 + 2] photodimerization of bpe occurs in the case of the bpe/fpvb ratio of 1:1, while a ratio of 1:2 is observed in photoinert objects. In the photoreactive cocrystals, a pedal-like motion occurs in bpe molecules. This phenomenon strongly affects photoreactivity because it changes the mutual geometry of two reactant molecules. The intermolecular geometry and the kinetics of the pedal-like motion, and thereby, the kinetics of the [2 + 2] photodimerization of bpe, have been modified by means of high pressure.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA20-01472S" target="_blank" >GA20-01472S: NMR krystalografie neuspořádaných systémů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Crystal Growth & Design

ISSN

1528-7483

e-ISSN

1528-7505

Svazek periodika

23

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

246-255

Kód UT WoS článku

000903277900001

EID výsledku v databázi Scopus

2-s2.0-85144296904