Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity.

McMonagle, Charles J; Fuller, Chloe A; Hupf, Emanuel; Malaspina, Lorraine A; Grabowsky, Simon; Chernyshov, Dmitry (2024). Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity. Acta crystallographica Section B, 80(Pt 1), pp. 13-18. International Union of Crystallography 10.1107/S2052520623010636

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The interaction of intense synchrotron radiation with molecular crystals frequently modifies the crystal structure by breaking bonds, producing fragments and, hence, inducing disorder. Here, a second-rank tensor of radiation-induced lattice strain is proposed to characterize the structural susceptibility to radiation. Quantitative estimates are derived using a linear response approximation from experimental data collected on three materials Hg(NO3)2(PPh3)2, Hg(CN)2(PPh3)2 and BiPh3 [PPh3 = triphenylphosphine, P(C6H5)3; Ph = phenyl, C6H5], and are compared with the corresponding thermal expansivities. The associated eigenvalues and eigenvectors show that the two tensors are not the same and therefore probe truly different structural responses. The tensor of radiative expansion serves as a measure of the susceptibility of crystal structures to radiation damage.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP)

UniBE Contributor:

Malaspina, Lorraine, Grabowsky, Simon

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry
000 Computer science, knowledge & systems

ISSN:

2052-5206

Publisher:

International Union of Crystallography

Language:

English

Submitter:

Pubmed Import

Date Deposited:

05 Jan 2024 10:51

Last Modified:

08 Feb 2024 00:15

Publisher DOI:

10.1107/S2052520623010636

PubMed ID:

38174727

Uncontrolled Keywords:

disorder molecular crystals radiation damage thermal expansion

BORIS DOI:

10.48350/191262

URI:

https://boris.unibe.ch/id/eprint/191262

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