Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering

Toru Wada; Gentoku Takasao; Alessandro Piovano; Maddalena D'Amore; Ashutosh Thakur; Patchanee Chammingkwan; Paolo Cleto Bruzzese; Minoru Terano; Bartolomeo Civalleri; Silvia Bordiga; Elena Groppo; Toshiaki Taniike

doi:10.1016/j.jcat.2020.03.002

Revisiting the identity of δ-MgCl₂: Part I. Structural disorder studied by synchrotron X-ray total scattering

Toru Wada
, Gentoku Takasao
, Alessandro Piovano
, Maddalena D'Amore
, Ashutosh Thakur
, Patchanee Chammingkwan
, Paolo Cleto Bruzzese
, Minoru Terano
, Bartolomeo Civalleri
, Silvia Bordiga
, Elena Groppo
, Toshiaki Taniike

Risultato della ricerca: Contributo su rivista › Articolo in rivista › peer review

Abstract

The activation of MgCl₂ is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl₂ has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl₂. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl₂ samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.

Lingua originale	Inglese
pagine (da-a)	76-86
Numero di pagine	11
Rivista	Journal of Catalysis
Volume	385
DOI	https://doi.org/10.1016/j.jcat.2020.03.002
Stato di pubblicazione	Pubblicato - mag 2020
Pubblicato esternamente	Sì

Accesso al documento

10.1016/j.jcat.2020.03.002

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@article{e63e55e6d6954e0baf93e02eea337b30,

title = "Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering",

abstract = "The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.",

keywords = "Nanocrystal, Pair distribution function, Structural disorder, Synchrotron, Total scattering, XRD, Ziegler-Natta catalysts",

author = "Toru Wada and Gentoku Takasao and Alessandro Piovano and Maddalena D'Amore and Ashutosh Thakur and Patchanee Chammingkwan and Bruzzese, \{Paolo Cleto\} and Minoru Terano and Bartolomeo Civalleri and Silvia Bordiga and Elena Groppo and Toshiaki Taniike",

note = "Publisher Copyright: {\textcopyright} 2020 Elsevier Inc.",

year = "2020",

month = may,

doi = "10.1016/j.jcat.2020.03.002",

language = "English",

volume = "385",

pages = "76--86",

journal = "Journal of Catalysis",

issn = "0021-9517",

publisher = "Academic Press Inc.",

}

TY - JOUR

T1 - Revisiting the identity of δ-MgCl2

T2 - Part I. Structural disorder studied by synchrotron X-ray total scattering

AU - Wada, Toru

AU - Takasao, Gentoku

AU - Piovano, Alessandro

AU - D'Amore, Maddalena

AU - Thakur, Ashutosh

AU - Chammingkwan, Patchanee

AU - Bruzzese, Paolo Cleto

AU - Terano, Minoru

AU - Civalleri, Bartolomeo

AU - Bordiga, Silvia

AU - Groppo, Elena

AU - Taniike, Toshiaki

PY - 2020/5

Y1 - 2020/5

N2 - The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.

AB - The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.

KW - Nanocrystal

KW - Pair distribution function

KW - Structural disorder

KW - Synchrotron

KW - Total scattering

KW - XRD

KW - Ziegler-Natta catalysts

UR - https://www.scopus.com/pages/publications/85082076875

U2 - 10.1016/j.jcat.2020.03.002

DO - 10.1016/j.jcat.2020.03.002

M3 - Article

SN - 0021-9517

VL - 385

SP - 76

EP - 86

JO - Journal of Catalysis

JF - Journal of Catalysis