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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).

 

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