The surface termination of a Fe (III) spin crossover molecular salt

Zaz, M. Zaid; Tamang, Binny; McElveen, Kayleigh; Mishra, Esha; Viswan, Gauthami; Chin, Wai Kiat; Subedi, Arjun; N’Daiye, Alpha T.; Lai, Rebecca Y.; Dowben, Peter A.

doi:10.1088/1361-648x/adaff9

The surface termination of a Fe (III) spin crossover molecular salt

Journal Article · Wed Feb 12 00:00:00 EST 2025 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/1361-648x/adaff9· OSTI ID:2530325

^[1]; Tamang, Binny ^[1]; McElveen, Kayleigh ^[1]; Mishra, Esha ^[2]; ^[1]; ^[1]; ^[1]; ^[3]; ^[1]; ^[1]

Univ. of Nebraska, Lincoln, NE (United States)
Univ. of Nebraska, Lincoln, NE (United States); Berry College, Mount Berry, GA (United States)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

From a comparison of the known molecular stoichiometry and x-ray photoemission spectroscopy, it is evident that the Fe(III) spin crossover salt [Fe(qsal)₂Ni(dmit)₂] has a preferential surface termination with the Ni(dmit)₂ moiety, where qsal = N(8quinolyl)salicylaldimine, and dmit^2- = 1,3-dithiol-2-thione-4,5-dithiolato. This preferential surface termination leads to a significant surface to bulk core level shift for the Ni 2p x-ray photoemission core level, not seen in the corresponding Fe 2p core level spectra. A similar surface to bulk core level shift is seen in Pd 3d in the related [Fe(qsal)₂]₂Pd(dmit)₂. Inverse photoemission spectroscopy, compared with the x-ray absorption spectra at the Ni-L3,2 edge provides some indication of the density of states resulting from the dmit^2- = 1,3-dithiol-2-thione-4,5-dithiolato ligand unoccupied molecular orbitals and thus supports the evidence regarding surface termination in the Ni(dmit)₂ moiety.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 2530325

Journal Information:: Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 13 Vol. 37; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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