Mossbauer parameters of organometallic compounds and polarizability effect

被引：13

作者：

Egorochkin, Alexey N. ^{[1
]}

Kuznetsova, Olga V. ^{[1
]}

Khamaletdinova, Nadiya M. ^{[1
]}

Domratcheva-Lvova, Lada G. ^{[2
]}

机构：

[1] Russian Acad Sci, GA Razuvaev Inst Organometall Chem, Nizhnii Novgorod 603950, Russia

[2] Univ Michoacana, Morelia 58030, Michoacan, Mexico

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2012年 / 710卷

关键词：

Organometallic compounds; Mossbauer spectra; Inductive effect; Conjugation; Polarizability effect; Steric effect; QUADRUPOLE COUPLING-CONSTANTS; DENSITY-FUNCTIONAL THEORY; TETRACOORDINATE (PHTHALOCYANINATO)IRON(II) COMPLEXES; PHOSPHORUS-ACID DERIVATIVES; ELECTRIC-FIELD GRADIENT; ORGANOTIN CARBOXYLATES; ISOMER-SHIFTS; TIN-119M MOSSBAUER; BONDING CHARACTER; INFRARED-SPECTRA;

D O I：

10.1016/j.jorganchem.2012.03.001

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The literature data on substituent influence on the isomer shifts delta and quadrupole splittings Delta in Mossbauer spectra for 32 series of iron, tin, antimony, and gold compounds have been considered using the correlation analysis. It has been established for the first time that the delta and Delta values depend not only on the inductive and resonance effect but also on the polarizability of substituents; besides, in many cases these values vary under the action of steric effects of substituents. The polarizability effect consists in an electrostatic attraction between the partial charge on the Mossbauer atoms (Fe-57, Sn-119, Sb-121, Au-197) and the dipole moments induced by this charge in the substituents. The polarizability contribution ranges up to about 60%. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：12 / 19

页数：8

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