Effect of cluster environment on the electron attachment to 2-nitrophenol

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F16%3A00459442" target="_blank" >RIV/61388955:_____/16:00459442 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1140/epjd/e2016-70074-0" target="_blank" >http://dx.doi.org/10.1140/epjd/e2016-70074-0</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1140/epjd/e2016-70074-0" target="_blank" >10.1140/epjd/e2016-70074-0</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Effect of cluster environment on the electron attachment to 2-nitrophenol

Popis výsledku v původním jazyce

Effect of cluster environment on the electron attachment to 2-nitrophenol (2NP) is studied in homogeneous 2NP clusters and heterogeneous clusters of 2NP, argon and water. The cluster environment significantly reduces fragmentation of 2NP after electron attachment. Parent cluster anions 2NPn- are primary reaction products in both, homogeneous and heterogeneous clusters. Non-dissociative electron attachment to homogeneous clusters proceeds at low energies <2 eV, presumably via dipole-supported states. In heterogeneous clusters, the interaction with low energy (<2 eV) electrons is shielded by the solvent. Surprisingly, the energetic threshold for the electron attachment rises with the number (n) of 2NP molecules in the cluster (2NP)n-. This rise can be either due to a strong change of the 2NP conformation induced by the cluster environment or due to the the competition with electron autodetachment after proton transfer that has been first observed by Allan in the formic acid dimer [M. Allan, Phys. Rev. Lett. 98, 123201 (2007)]. We observe the same threshold rise for complex Arm(2NP)n- and H2O(2NP)n- anions. This indicates that the electron attachment to 2-nitrophenol in cluster environment is more influenced by the solute solute interaction compared to the solute solvent interaction.

Název v anglickém jazyce

Effect of cluster environment on the electron attachment to 2-nitrophenol

Popis výsledku anglicky

Effect of cluster environment on the electron attachment to 2-nitrophenol (2NP) is studied in homogeneous 2NP clusters and heterogeneous clusters of 2NP, argon and water. The cluster environment significantly reduces fragmentation of 2NP after electron attachment. Parent cluster anions 2NPn- are primary reaction products in both, homogeneous and heterogeneous clusters. Non-dissociative electron attachment to homogeneous clusters proceeds at low energies <2 eV, presumably via dipole-supported states. In heterogeneous clusters, the interaction with low energy (<2 eV) electrons is shielded by the solvent. Surprisingly, the energetic threshold for the electron attachment rises with the number (n) of 2NP molecules in the cluster (2NP)n-. This rise can be either due to a strong change of the 2NP conformation induced by the cluster environment or due to the the competition with electron autodetachment after proton transfer that has been first observed by Allan in the formic acid dimer [M. Allan, Phys. Rev. Lett. 98, 123201 (2007)]. We observe the same threshold rise for complex Arm(2NP)n- and H2O(2NP)n- anions. This indicates that the electron attachment to 2-nitrophenol in cluster environment is more influenced by the solute solute interaction compared to the solute solvent interaction.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

European Physical Journal D

ISSN

1434-6060

e-ISSN

—

Svazek periodika

70

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

8

Strana od-do

98-105

Kód UT WoS článku

000375296300004

EID výsledku v databázi Scopus

2-s2.0-85007560487