NDLI: Mössbauer studies of FeSn molecules isolated in rare-gas solids and SCF–Xα–scattered-wave molecular-orbital analyses of Sn<sub>2</sub> and FeSn diatomic molecules

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Mössbauer studies of FeSn molecules isolated in rare-gas solids and SCF–Xα–scattered-wave molecular-orbital analyses of Sn₂ and FeSn diatomic molecules

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Mössbauer studies of FeSn molecules isolated in rare-gas solids and SCF–Xα–scattered-wave molecular-orbital analyses of Sn₂ and FeSn diatomic molecules

Content Provider	Royal Society of Chemistry (RSC)
Author	Nagarathna, H. M. Montano, Pedro A.
Copyright Year	1983
Abstract	Iron–tin molecules were isolated in rare-gas solids and studied using both 57Fe and 119Sn Mössbauer isotopes. Experiments at very dilute concentrations were performed to detect FeSn diatomic molecules. Larger clusters were identified by concentration dependence studies and Monte Carlo calculations. The 57Fe and 119Sn isomer shifts (IS) for FeSn diatomic molecules suggest a covalent bonding between Fe and Sn atoms. Similar behaviour was observed for large iron–tin clusters (FexSny; x, y 3). SCF–Xα–SW calculations were performed for Sn2 and FeSn diatomic molecules. Sn2 shows a 3∑g ground state and gives a quadrupole splitting (QS) consistent with the experimentally measured value at an equilibrium distance of 2.75 Å. The most probable ground state for FeSn is a 7Δ{σ2(3dFe, 5sSn)σ1(3dFe)σ2(4sFe 5pSn)σ2(4pFe,5pSn)π2.75(3dFe)δ2.25(3dFe)π1(5pSn)} configuration which gives the QS values for iron and tin atoms in agreement with the experimentally measured values at an equilibrium distance of 2.5 Å.
Starting Page	271
Ending Page	282
Page Count	12
File Format	PDF
ISSN	03009238
Volume Number	79
Issue Number	2
Journal	Journal of the Chemical Society, Faraday Transactions 2
DOI	10.1039/F29837900271
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Isotopes of tin Monte Carlo method Nuclear isomer Monte Carlo Isotopes of iron Quadrupole splitting SCF Covalent bond Tin Correlation and dependence Sigma-1 receptor
Content Type	Text
Resource Type	Article
Subject	Atomic and Molecular Physics, and Optics Physical and Theoretical Chemistry

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