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231226s2022 xx |||||o 00| ||eng c |
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|a 10.1021/acs.organomet.2c00156
|2 doi
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|a pubmed24n1523.xml
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|a (DE-627)NLM346735076
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|a (NLM)36157255
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|a DE-627
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|c DE-627
|e rakwb
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|a eng
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| 100 |
1 |
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|a Valentine, Andrew J
|e verfasserin
|4 aut
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| 245 |
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|a Structural and Electronic Studies of Substituted m-Terphenyl Group 12 Complexes
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|c 2022
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
|b cr
|2 rdacarrier
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|a Date Revised 04.09.2024
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2022 The Authors. Published by American Chemical Society.
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|a The effects of para-substitution on the structural and electronic properties of four series of two-coordinate m-terphenyl Group 12 complexes (R-Ar#)2M (M = Zn, Cd, Hg; R = t-Bu 1-3, SiMe3 4-6, Cl 7-9, CF3 10-12, where R-Ar# = 2,6-{2,6-Xyl}2-4-R-C6H2 and 2,6-Xyl = 2,6-Me2C6H3) have been investigated. X-ray crystallography shows little structural variation across the series, with no significant change in the C-M-C bond distances and angles. However, considerable electronic differences are revealed by heteronuclear nuclear magnetic resonance (NMR) spectroscopy; a linear correlation is observed between the 113Cd, 199Hg, and 1H (2,6-Xyl methyl protons) NMR chemical shifts of the para-substituted complexes and the Hammett constants for the R-substituents. Specifically, an upfield shift in the NMR signal is observed with increasingly electron-withdrawing R-substituents. Density functional theory (DFT) calculations are employed to attempt to rationalize these trends
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|a Journal Article
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1 |
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|a Taylor, Laurence J
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Geer, Ana M
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Huke, Cameron D
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Wood, Katherine E
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Tovey, Will
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Lewis, William
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Argent, Stephen P
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Teale, Andrew M
|e verfasserin
|4 aut
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| 700 |
1 |
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|a McMaster, Jonathan
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Kays, Deborah L
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Organometallics
|d 1998
|g 41(2022), 11 vom: 13. Juni, Seite 1426-1433
|w (DE-627)NLM098167103
|x 0276-7333
|7 nnns
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| 773 |
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|g volume:41
|g year:2022
|g number:11
|g day:13
|g month:06
|g pages:1426-1433
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|u http://dx.doi.org/10.1021/acs.organomet.2c00156
|3 Volltext
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