Conformational studies of aminomethylene-malonic acid dimethylester and its N-methyl derivatives using vibrational spectroscopy, X-ray analysis and ab initio calculations

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F09%3A00021829" target="_blank" >RIV/60461373:22340/09:00021829 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Conformational studies of aminomethylene-malonic acid dimethylester and its N-methyl derivatives using vibrational spectroscopy, X-ray analysis and ab initio calculations

Original language description

The IR and Raman spectra of aminomethylene-malonic acid dimethylester (AMDME) [NH2-CH=C(COOCH3)(2)] and its N-methyl derivatives (MAMDME and DMAMDME) were measured in solid phase and in different solvents at various temperatures. X-ray analysis revealedthat AMDME exists in solid phase as EZ conformer, MAMDME as ZZa conformer and DMAMDME as ZE conformer (the first and second E or Z letters express the orientation of the carbonyl oxygen to the C=C double bond for trans and cis methylester group, respectively, and the third letter a denotes anti position of methylamino group with respect to the C=C double bond). In less polar solutions dominantly two ZZ and EZ conformational forms of AMDME and ZZa and EZa of MAMDME are observed, whereas in more polar environments a third conformational form (ZE and ZEa, respectively) also appeared. The behaviour of DMAMDME is different because there is no intramolecular hydrogen bond and in less polar solutions exists in two ZZ and ZE conformational form

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CB - Analytical chemistry, separation

OECD FORD branch

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Project

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Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Molecular Structure

ISSN

0022-2860

e-ISSN

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Volume of the periodical

924-926

Issue of the periodical within the volume

SI

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

8

Pages from-to

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UT code for WoS article

000266574200010

EID of the result in the Scopus database

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