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Conformational analysis of thiophene-3-carbaldehyde and 3-methoxy carbonyl-thiophene

ISSN:0040-4020
1974年第30卷第11期


Conformational analysis of 3-substituted thiophene carbonyl derivatives, thiophene-3- carbaldehyde and 3-methoxy carbonyl thiophene has been studied by means of NMR coupling constants, carbonyl shielding effects and solvent shifts, showing that S-cis form is preferable to S-trans. Moreover, the result of a semi-empirical calculation (CNDO/2 method) suggests that the most stable conformation may be the twisted form of S-cis type even though it may not be perpendicular one. This conclusion seems to be consistent with our present experimental results and other information through IR and ultraviolet spectroscopy.

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ISSN:0040-4020
1974年第30卷第11期

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