Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound
Abstract
An alternative description is provided for the previously reported novel tetranuclear cadmium carbonyl compound, [Cd(CO)3(C6H3Cl)]4. Specifically, consideration of single crystal X-ray diffraction data indicates that the compound is better formulated as the rhenium compound, [Re(CO)3(C4N2H3S)]4. Furthermore, density functional theory calculations predict that, if it were to exist, [Cd(CO)3(C6H3Cl)]4 would have a very different structure to that reported. While it is well known that X-ray diffraction may not reliably distinguish between atoms of similar atomic number (e.g. N/C and Cl/S), it is not generally recognized that two atoms with very different atomic numbers could be misassigned. The misidentification of two elements as diverse as Re and Cd (ΔZ = 27) is unexpected and serves as an important caveat for structure determinations.
- Publication Date:
- Research Org.:
- Columbia Univ., New York, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1671373
- Alternate Identifier(s):
- OSTI ID: 1778801
- Grant/Contract Number:
- SC0019204
- Resource Type:
- Published Article
- Journal Name:
- Chemical Science
- Additional Journal Information:
- Journal Name: Chemical Science Journal Volume: 11 Journal Issue: 43; Journal ID: ISSN 2041-6520
- Publisher:
- Royal Society of Chemistry (RSC)
- Country of Publication:
- United Kingdom
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; metal carbonyl; cadmium; rhenium; crystal structure
Citation Formats
Amemiya, Erika, Loo, Aaron, Shlian, Daniel G., and Parkin, Gerard. Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound. United Kingdom: N. p., 2020.
Web. doi:10.1039/D0SC04596A.
Amemiya, Erika, Loo, Aaron, Shlian, Daniel G., & Parkin, Gerard. Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound. United Kingdom. https://doi.org/10.1039/D0SC04596A
Amemiya, Erika, Loo, Aaron, Shlian, Daniel G., and Parkin, Gerard. Wed .
"Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound". United Kingdom. https://doi.org/10.1039/D0SC04596A.
@article{osti_1671373,
title = {Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound},
author = {Amemiya, Erika and Loo, Aaron and Shlian, Daniel G. and Parkin, Gerard},
abstractNote = {An alternative description is provided for the previously reported novel tetranuclear cadmium carbonyl compound, [Cd(CO)3(C6H3Cl)]4. Specifically, consideration of single crystal X-ray diffraction data indicates that the compound is better formulated as the rhenium compound, [Re(CO)3(C4N2H3S)]4. Furthermore, density functional theory calculations predict that, if it were to exist, [Cd(CO)3(C6H3Cl)]4 would have a very different structure to that reported. While it is well known that X-ray diffraction may not reliably distinguish between atoms of similar atomic number (e.g. N/C and Cl/S), it is not generally recognized that two atoms with very different atomic numbers could be misassigned. The misidentification of two elements as diverse as Re and Cd (ΔZ = 27) is unexpected and serves as an important caveat for structure determinations.},
doi = {10.1039/D0SC04596A},
journal = {Chemical Science},
number = 43,
volume = 11,
place = {United Kingdom},
year = {Wed Nov 11 00:00:00 EST 2020},
month = {Wed Nov 11 00:00:00 EST 2020}
}
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