Haloacetylated Compounds: Solvent Effects on the17O Nmr Chemical Shifts of 1,1,1-Trichloro-4-Methoxy-3-Alken-2-Ones
作者:
MarcosA. P. Martins,
GeonirM. Siqueira,
AlexF.C. Flores,
Nilo Zanatta,
HelioG. Bonacorso,
期刊:
Spectroscopy Letters
(Taylor Available online 1999)
卷期:
Volume 32,
issue 6
页码: 973-981
ISSN:0038-7010
年代: 1999
DOI:10.1080/00387019909350042
出版商: Taylor & Francis Group
关键词: 17O NMR;solvent effect;vinyl ketone;MO Calculations
数据来源: Taylor
摘要:
A multi-linear-regression analysis using the Kamlet-Abboud-Taft (KAT) solvatochromic parameters in order to elucidate and quantify the solvent effects on the17O chemical shifts of (E)-1,1,1-trichloro-4-methoxy-3-penten-2-one (1) and (E)-1,1,1-trichloro-4-methoxy-3-methyl-3-buten-2-one (2) are reported. The chemical shifts of carbonyl group of the two molecules show similar dependencies (in ppm) on the solvent polarity-polarizability (-17*, -15*) and the solvent hydrogen-bond-donor (HBD) acidities (-7α, -6α). The influence of the solvent hydrogen-bond-acceptor (HBA) basicities is significant for compound 1 (3β) and small for compound 2 (0.7β).
点击下载:
PDF (367KB)
返 回