X-ray Absorption Spectroscopy (XAS) is a sensitive and powerful technique in revealing the structure of a material, providing as well high accuracy on interatomic distances. Nevertheless, when dealing with systems that differ only by small structural features, a standard data analysis might be unable of discriminating between such differences. A differential approach was proposed by Bressler, Chergui, and co-workers [2003, Phys. Rev. Lett. 90, 047403][2006, J. Phys. Chem B, 110, 14035][2009 Angew. Chem., Int. Ed. 48 2711] to solve this problem and differentiate between excited and unexcited state structures during pump-and-probe transient XAS experiments. In this contribution, we apply the differential data analysis procedure to the study of two closely-related molecular complexes, namely cis-[Ru(bpy)(2)(py)(2)](2+) and cis-[Ru(bpy)(2)(py)(H2O)](2+), characterized under static conditions. It is herein demonstrated that the method, based on a direct fit of differential curves, is able to reveal the small differences present between the two structures which, conversely, could not be resolved by standard EXAFS fitting of full spectra.

Combined study of structural properties on metal-organic frameworks with same topology but different linkers or metal

GIANOLIO, DIEGO;VITILLO, Jenny Grazia;CIVALLERI, Bartolomeo;BORDIGA, Silvia;VALENZANO, LOREDANA;LAMBERTI, Carlo
2013

Abstract

X-ray Absorption Spectroscopy (XAS) is a sensitive and powerful technique in revealing the structure of a material, providing as well high accuracy on interatomic distances. Nevertheless, when dealing with systems that differ only by small structural features, a standard data analysis might be unable of discriminating between such differences. A differential approach was proposed by Bressler, Chergui, and co-workers [2003, Phys. Rev. Lett. 90, 047403][2006, J. Phys. Chem B, 110, 14035][2009 Angew. Chem., Int. Ed. 48 2711] to solve this problem and differentiate between excited and unexcited state structures during pump-and-probe transient XAS experiments. In this contribution, we apply the differential data analysis procedure to the study of two closely-related molecular complexes, namely cis-[Ru(bpy)(2)(py)(2)](2+) and cis-[Ru(bpy)(2)(py)(H2O)](2+), characterized under static conditions. It is herein demonstrated that the method, based on a direct fit of differential curves, is able to reveal the small differences present between the two structures which, conversely, could not be resolved by standard EXAFS fitting of full spectra.
15TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE (XAFS15)
Beijing, PEOPLES Republic of CHINA
22-28 July, 2012
430
012134
012134
http://iopscience.iop.org/1742-6596/430/1/012125/
MOF; metallorganic framework; UiO-66; UiO-67; Hf-UiO-66; EXAFS; XRPD; ab initio calculations; structure solution
D. Gianolio; J. G. Vitillo; B. Civalleri; S. Bordiga; U. Olsbye; K. P. Lillerud; L. Valenzano; C. Lamberti
File in questo prodotto:
File Dimensione Formato  
13JPhysConfSer_UiO_MOFs.pdf

Accesso riservato

Tipo di file: PDF EDITORIALE
Dimensione 1.23 MB
Formato Adobe PDF
1.23 MB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/141462
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 3
  • ???jsp.display-item.citation.isi??? 2
social impact