How to (not) Evaluate a Photoswitch Performance, Benchmarking of Methods Used for Processing Kinetic Data on an Example of Arylazopyrazole Z-Isomer Half-Life

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F25%3A00642262" target="_blank" >RIV/61388963:_____/25:00642262 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11310/25:10510308

Výsledek na webu

<a href="https://doi.org/10.1002/cmtd.202500055" target="_blank" >https://doi.org/10.1002/cmtd.202500055</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/cmtd.202500055" target="_blank" >10.1002/cmtd.202500055</a>

Jazyk výsledku

angličtina

Název v původním jazyce

How to (not) Evaluate a Photoswitch Performance, Benchmarking of Methods Used for Processing Kinetic Data on an Example of Arylazopyrazole Z-Isomer Half-Life

Popis výsledku v původním jazyce

Photoswitchable molecular systems are nowadays very popular and promising for development of molecular electronics in the future. Their physico-chemical properties, such as activation wavelength, quantum yields, or stability of metastable forms are usually compared with the already published data, with the aim to demonstrate their improvement. An investigation of chemical kinetics is not always straightforward and requests careful data analysis and their processing. Importantly, stability of metastable forms is quantified by half-life values tau 1/2, which can be determined in several ways, leading to incomparable results. In this comparative study, it is demonstrated that processing the same data set by different approaches used in literature leads to a wide range of the half-life values. As model compounds, we prepared azopyrazole derivatives 1 and 2 with the most stable Z isomers published (tau 1/2 46 years and 1000 days at room temperature, respectively). Depending on the processing method the half-life values of 1 in a range of 41.9-57.4 years were determined, with 16% of deviation. And for 2 in a range of 492-826 days (25% deviation). The results let us recommend a comprehensive methodology of how to process and evaluate the kinetic data with the aim of producing comparable results among laboratories all over the world.

Název v anglickém jazyce

How to (not) Evaluate a Photoswitch Performance, Benchmarking of Methods Used for Processing Kinetic Data on an Example of Arylazopyrazole Z-Isomer Half-Life

Popis výsledku anglicky

Photoswitchable molecular systems are nowadays very popular and promising for development of molecular electronics in the future. Their physico-chemical properties, such as activation wavelength, quantum yields, or stability of metastable forms are usually compared with the already published data, with the aim to demonstrate their improvement. An investigation of chemical kinetics is not always straightforward and requests careful data analysis and their processing. Importantly, stability of metastable forms is quantified by half-life values tau 1/2, which can be determined in several ways, leading to incomparable results. In this comparative study, it is demonstrated that processing the same data set by different approaches used in literature leads to a wide range of the half-life values. As model compounds, we prepared azopyrazole derivatives 1 and 2 with the most stable Z isomers published (tau 1/2 46 years and 1000 days at room temperature, respectively). Depending on the processing method the half-life values of 1 in a range of 41.9-57.4 years were determined, with 16% of deviation. And for 2 in a range of 492-826 days (25% deviation). The results let us recommend a comprehensive methodology of how to process and evaluate the kinetic data with the aim of producing comparable results among laboratories all over the world.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/LUC24043" target="_blank" >LUC24043: Fotopřepínače imobilizované na fosfazenech – hledání univerzálních senzorů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

Chemistry-Methods

ISSN

2628-9725

e-ISSN

2628-9725

Svazek periodika

5

Číslo periodika v rámci svazku

12

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

7

Strana od-do

e202500055

Kód UT WoS článku

001568008400001

EID výsledku v databázi Scopus

2-s2.0-105015547844