Insight into Understanding the Inverse Isotope Effect in a One-Dimensional Spin-Peierls-Type Molecular Solid

A new deuterated spin-Peierls-type transition salt, bis­(maleonitriledithiolato)­nickelate radical anion with a 1-N-(4′-vinyl-benzyl)­pyridinium-d 5 nonmagnetic cation, was synthesized by replacing pyridine with pyridine-d 5 and characterized. The deuterated and hydrogen parent salts, denoted as V-P...

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Bibliographic Details
Published in:Journal of physical chemistry. C 2023-10, Vol.127 (39), p.19850-19856
Main Authors: Xu, Lei, Gao, Yan, Feng, Zi-Heng, Ning, Wei-Hua, Qian, Yin, Ren, Xiao-Ming
Format: Article
Language:English
Subjects:
C: Physical Properties of Materials and Interfaces
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Summary:A new deuterated spin-Peierls-type transition salt, bis­(maleonitriledithiolato)­nickelate radical anion with a 1-N-(4′-vinyl-benzyl)­pyridinium-d 5 nonmagnetic cation, was synthesized by replacing pyridine with pyridine-d 5 and characterized. The deuterated and hydrogen parent salts, denoted as V-Py-D and V-Py-H, are isomorphic in both high- and low-temperature phases (abbreviated as HTP and LTP), respectively. The phase transition temperature (T C) of V-Py-D is ca. 204.8 K and lower than that of V-Py-H by 3.3 K, and this finding differs from that in other members of the R-Py-H/D (R = F, Cl, Br, I, CH3, and NO2) family, where each deuterium salt exhibits a higher T C than its hydrogen counterpart. A correlation was observed between the T C and the overlap integral of two superimposed anions in an anionic stack in HTP across all members in this family, and the possible origin was investigated.
ISSN:1932-7447
1932-7455
DOI:10.1021/acs.jpcc.3c05397