On hydrogen bonding in the intramolecularly chelated tautomers of enolic malondialdehyde and its mono- and dithio-analogues

Lars Carlsen; Fritz Duus

doi:10.1039/P29800001080

On hydrogen bonding in the intramolecularly chelated tautomers of enolic malondialdehyde and its mono- and dithio-analogues

Lars Carlsen, Fritz Duus

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

The intramolecular hydrogen bondings in enolic malondialdehyde and it mono- and dithio-analogues have been evaluated by a semiempricial SCF–MO–CNDO method. The calculations predict that the hydrogen bonds play an important part in the stabilities of malondialdehyde and monothiomalondialdehyde, whereas dithiomalondialdehyde hardly exists as a hydrogen-chelated tautomeric form.

Original language	English
Journal	Royal Chemical Society. Journal. Perkin Transactions 2
Issue number	7
Pages (from-to)	1080-1082
ISSN	1472-779X
DOIs	https://doi.org/10.1039/P29800001080
Publication status	Published - 1980

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title = "On hydrogen bonding in the intramolecularly chelated tautomers of enolic malondialdehyde and its mono- and dithio-analogues",

abstract = "The intramolecular hydrogen bondings in enolic malondialdehyde and it mono- and dithio-analogues have been evaluated by a semiempricial SCF–MO–CNDO method. The calculations predict that the hydrogen bonds play an important part in the stabilities of malondialdehyde and monothiomalondialdehyde, whereas dithiomalondialdehyde hardly exists as a hydrogen-chelated tautomeric form.",

author = "Lars Carlsen and Fritz Duus",

year = "1980",

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language = "English",

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journal = "Royal Chemical Society. Journal. Perkin Transactions 2",

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T1 - On hydrogen bonding in the intramolecularly chelated tautomers of enolic malondialdehyde and its mono- and dithio-analogues

AU - Carlsen, Lars

AU - Duus, Fritz

PY - 1980

Y1 - 1980

N2 - The intramolecular hydrogen bondings in enolic malondialdehyde and it mono- and dithio-analogues have been evaluated by a semiempricial SCF–MO–CNDO method. The calculations predict that the hydrogen bonds play an important part in the stabilities of malondialdehyde and monothiomalondialdehyde, whereas dithiomalondialdehyde hardly exists as a hydrogen-chelated tautomeric form.

AB - The intramolecular hydrogen bondings in enolic malondialdehyde and it mono- and dithio-analogues have been evaluated by a semiempricial SCF–MO–CNDO method. The calculations predict that the hydrogen bonds play an important part in the stabilities of malondialdehyde and monothiomalondialdehyde, whereas dithiomalondialdehyde hardly exists as a hydrogen-chelated tautomeric form.

U2 - 10.1039/P29800001080

DO - 10.1039/P29800001080

M3 - Journal article

SN - 1472-779X

SP - 1080

EP - 1082

JO - Royal Chemical Society. Journal. Perkin Transactions 2

JF - Royal Chemical Society. Journal. Perkin Transactions 2

IS - 7

ER -

On hydrogen bonding in the intramolecularly chelated tautomers of enolic malondialdehyde and its mono- and dithio-analogues

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