✦ LIBER ✦

Carbon-13 and mercury-199 nuclear spin relaxation study on solution dynamics of the bis(phenylethynyl)mercury molecule and shielding anisotropy of its acetyleniccarbon and mercury nuclei

✍ Scribed by Adam Gryff-Keller; Sergey Molchanov

Publisher: John Wiley and Sons
Year: 2000
Tongue: English
Weight: 83 KB
Volume: 38
Category: Article
ISSN: 0749-1581
DOI: 10.1002/(sici)1097-458x(200001)38:1<17::aid-mrc603>3.0.co;2-v

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✦ Synopsis

Carbon-13 longitudinal relaxation times and nuclear Overhauser effect enhancement factors at two magnetic fields and three temperatures were measured for a DMSO solution of bis(phenylethynyl)mercury and interpreted in terms of molecular mobility of the solute molecule. The problem of the effective C-H bond length, crucial for the quantitative treatment of the relaxation data, was especially addressed. Then, using relaxation data for acetylenic carbons and additionally measured longitudinal relaxation times of mercury-199, the shielding anisotropy parameters for these nuclei were calculated.

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Nuclear spin relaxation study of the solution reorientation of 3,5-dichlorophenyl- and phenylethynyl-mercury cyanide molecules and shielding tensors of nuclei forming the –HgCN and –CCHgCN groups: estimation of the heavy atom effect of mercury

✍ Sergey Molchanov; Adam Gryff-Keller 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 120 KB

## Abstract 3,5‐Dichlorophenylmercury cyanide (**1**) and phenylethynylmercury cyanide (2) dissolved in DMSO‐__d__~6~ have been investigated using ^13^C, ^15^N and ^199^Hg NMR and density functional theory (DFT) calculations. The longitudinal relaxation times of ^13^C and ^199^Hg nuclei of compound