Data · dataset · 2025
Replication Data for: Generation and UV-photolysis of N-methyleneformamide
Listed in TUDOdata
Simple imines have been detected in space and are considered as building blocks to larger heteroaromatic, cyclic and biological relevant compounds.
Description
Herein we revisited the formation of the simplest acylimine, namely N-methyleneformamide, by high-vacuum flash pyrolysis (HVFP) as well as its spectroscopic characterization by cryogenic matrix isolation infrared (IR) and UV/Vis spectroscopy. N-methyleneformamide prefers a gauche over a s-trans conformation in contrast to parent 1,3 butadiene.
In UV-photolysis experiments we identified formaldehyde:HCN and formaldimine:CO complexes as the major decomposition products. As further photolysis products we observed the HCN:CO and HNC:CO complexes. All experimental findings are supported by deuterium labeling experiments and high-level ab initio coupled cluster calculations.
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N-methyleneformamide should be considered as a candidate for an interstellar search. The sequence R2C=N–RC=O also occurs in cytosine making the title compound highly relevant for prebiotic chemistry and the search for the molecular origins of life. Dataset Description: This dataset contains experimental data of IR and NMR spectra published in the manuscript "Generation and UV-photolysis of N-methyleneformamide".
Spectra labeled as 'Figure...' are presented in the appropriate figures in the main text or the Supporting Information (SI). All captions follow the structure: Figure → compound → (process) → spectroscopy.
Links
Where it is published
- Dataverse dataset page data.tu-dortmund.de/dataset.xhtml?persistentId=doi%3A10.17877%2FRESOLV-2025-M724WN… ↗
landing page · from data tu dortmund de
- DOI doi.org/10.17877/resolv-2025-m724wnw4 ↗
DOI / persistent id · from data tu dortmund de
Catalogue records · 1
- Dataverse API data.tu-dortmund.de/api/datasets/:persistentId/?persistentId=doi%3A10.17877%2FRESO… ↗
metadata API · from data tu dortmund de
Topics
- Stated by source
- Chemistry
- From keywords
- Chemistry · Engineering · Humanities · Mathematics & Statistics · Social Science
- Inferred from text
- Physical chemistry 70% · Text 75%
Provenance · 1 source records, 14 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| TUDOdata | doi:10.17877/RESOLV-2025-M724WNW4 | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3406 | enrichment · data tu dortmund de | taxonomy-embedding@1.0.0 | title+keywords+description (70%) |
| concepts[field].dataverse_subject:chemistry | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:engineering | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:humanities | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:mathematics-statistics | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:social-science | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[modality].local:modality:text | enrichment · data tu dortmund de | keyword-concept-rules@1.0.0 | title+description (75%) |
| created_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| description | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /description |
| publication_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| title | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /name |
| updated_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| version_label | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 |