000118738 001__ 118738
000118738 005__ 20240319081024.0
000118738 0247_ $$2doi$$a10.1021/acs.organomet.2c00156
000118738 0248_ $$2sideral$$a129684
000118738 037__ $$aART-2022-129684
000118738 041__ $$aeng
000118738 100__ $$aValentine, A. J.
000118738 245__ $$aStructural and electronic studies of substituted m-terphenyl group 12 complexes
000118738 260__ $$c2022
000118738 5060_ $$aAccess copy available to the general public$$fUnrestricted
000118738 5203_ $$aThe 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. © 2022 The Authors. Published by American Chemical Society.
000118738 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000118738 590__ $$a2.8$$b2022
000118738 592__ $$a0.868$$b2022
000118738 591__ $$aCHEMISTRY, ORGANIC$$b16 / 52 = 0.308$$c2022$$dQ2$$eT1
000118738 593__ $$aInorganic Chemistry$$c2022$$dQ1
000118738 591__ $$aCHEMISTRY, INORGANIC & NUCLEAR$$b16 / 42 = 0.381$$c2022$$dQ2$$eT2
000118738 593__ $$aPhysical and Theoretical Chemistry$$c2022$$dQ1
000118738 593__ $$aOrganic Chemistry$$c2022$$dQ1
000118738 594__ $$a6.6$$b2022
000118738 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000118738 700__ $$aTaylor, L. J.
000118738 700__ $$0(orcid)0000-0003-1115-6759$$aGeer, A. M.
000118738 700__ $$aHuke, C. D.
000118738 700__ $$aWood, K. E.
000118738 700__ $$aTovey, W.
000118738 700__ $$aLewis, W.
000118738 700__ $$aArgent, S. P.
000118738 700__ $$aTeale, A. M.
000118738 700__ $$aMcMaster, J.
000118738 700__ $$aKays, D. L.
000118738 773__ $$g41, 11 (2022), 1426–1433$$pOrganometallics$$tOrganometallics$$x0276-7333
000118738 8564_ $$s1422189$$uhttps://zaguan.unizar.es/record/118738/files/texto_completo.pdf$$yVersión publicada
000118738 8564_ $$s2864729$$uhttps://zaguan.unizar.es/record/118738/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000118738 909CO $$ooai:zaguan.unizar.es:118738$$particulos$$pdriver
000118738 951__ $$a2024-03-18-16:32:53
000118738 980__ $$aARTICLE