Combination of Resonance and Non-Resonance Chiral Raman Scattering in a Cobalt(III) Complex

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22330%2F23%3A43934151" target="_blank" >RIV/60461373:22330/23:43934151 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388963:_____/23:00576140 RIV/61989592:15310/23:73620131 RIV/60461373:22340/23:43934151

Výsledek na webu

<a href="https://doi.org/10.1002/anie.202312521" target="_blank" >https://doi.org/10.1002/anie.202312521</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/anie.202312521" target="_blank" >10.1002/anie.202312521</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Combination of Resonance and Non-Resonance Chiral Raman Scattering in a Cobalt(III) Complex

Popis výsledku v původním jazyce

Resonance Raman optical activity (RROA) spectra with high sensitivity reveal details on molecular structure, chirality, and excited electronic properties. Despite the difficulty of the measurements, the recorded data for the Co(III) complex with S,S-N,N-ethylenediaminedisuccinic acid are of exceptional quality and, coupled with the theory, spectacularly document the molecular behavior in resonance. This includes a huge enhancement of the chiral scattering, contribution of the antisymmetric polarizabilities to the signal, and the Herzberg-Teller effect significantly shaping the spectra. The chiral component is by about one order of magnitude bigger than for an analogous aluminum complex. The band assignment and intensity profile were confirmed by simulations based on density functional and vibronic theories. The resonance was attributed to the S0 -&gt; S3 transition, with the strongest signal enhancement of Raman and ROA spectral bands below about 800 cm-1. For higher wavenumbers, other excited electronic states contribute to the scattering in a less resonant way. RROA spectroscopy thus appears as a unique tool to study the structure and electronic states of absorbing molecules in analytical chemistry, biology, and material science. Resonance Raman optical activity is becoming a useful tool to study geometry and electronic structure of molecules. For a cobalt complex we report large signal enhancement, unique resonance spectral pattern, and an advanced analysis based on vibrational functions of the ground and excited electronic state. For the first time, a dual circular polarization signal coming from asymmetric molecular polarizabilities was verified on enantiomers.image

Název v anglickém jazyce

Combination of Resonance and Non-Resonance Chiral Raman Scattering in a Cobalt(III) Complex

Popis výsledku anglicky

Resonance Raman optical activity (RROA) spectra with high sensitivity reveal details on molecular structure, chirality, and excited electronic properties. Despite the difficulty of the measurements, the recorded data for the Co(III) complex with S,S-N,N-ethylenediaminedisuccinic acid are of exceptional quality and, coupled with the theory, spectacularly document the molecular behavior in resonance. This includes a huge enhancement of the chiral scattering, contribution of the antisymmetric polarizabilities to the signal, and the Herzberg-Teller effect significantly shaping the spectra. The chiral component is by about one order of magnitude bigger than for an analogous aluminum complex. The band assignment and intensity profile were confirmed by simulations based on density functional and vibronic theories. The resonance was attributed to the S0 -&gt; S3 transition, with the strongest signal enhancement of Raman and ROA spectral bands below about 800 cm-1. For higher wavenumbers, other excited electronic states contribute to the scattering in a less resonant way. RROA spectroscopy thus appears as a unique tool to study the structure and electronic states of absorbing molecules in analytical chemistry, biology, and material science. Resonance Raman optical activity is becoming a useful tool to study geometry and electronic structure of molecules. For a cobalt complex we report large signal enhancement, unique resonance spectral pattern, and an advanced analysis based on vibrational functions of the ground and excited electronic state. For the first time, a dual circular polarization signal coming from asymmetric molecular polarizabilities was verified on enantiomers.image

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10400 - Chemical sciences

Projekt

—

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

Angewandte Chemie - International Edition

ISSN

1433-7851

e-ISSN

1521-3773

Svazek periodika

62

Číslo periodika v rámci svazku

45

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

6

Strana od-do

nestránkováno

Kód UT WoS článku

001076654500001

EID výsledku v databázi Scopus

2-s2.0-85172882326