M枚ssbauer parameters of organometallic compounds and polarizability effect

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• 作者：Alexey N. Egorochkin^a ; Olga V. Kuznetsova^a ; ^{olga@iomc.ras.ru} ; Nadiya M. Khamaletdinova^a ; Lada G. Domratcheva-Lvova^b
• 关键词：Organometallic compounds ; Mö ; ssbauer spectra ; Inductive effect ; Conjugation ; Polarizability effect ; Steric effect
• 刊名：Journal of Organometallic Chemistry
• 出版年：2012
• 期刊代码：64_0022328x
• 类别：ch
• 出版时间：1 July, 2012
• 卷：710
• 期：Complete
• 页码：12-19
• 文件大小：212 K

摘要

The literature data on substituent influence on the isomer shifts 未 and quadrupole splittings 螖 in M枚ssbauer 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 未 and 螖 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 M枚ssbauer atoms (⁵⁷Fe, ¹¹⁹Sn, ¹²¹Sb, ¹⁹⁷Au) and the dipole moments induced by this charge in the substituents. The polarizability contribution ranges up to about 60%.