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) |
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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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