computational and spectral investigation of 5,12-dihydro-5,12-ethanonaphthacene-13-carbaldehyde
Clicks: 194
ID: 234145
2011
Article Quality & Performance Metrics
Overall Quality
Improving Quality
0.0
/100
Combines engagement data with AI-assessed academic quality
Reader Engagement
Emerging Content
30.0
/100
193 views
13 readers
Trending
AI Quality Assessment
Not analyzed
Abstract
A conformational search of 5,12-dihydro-5,12-ethanonaphthacene-13-carbaldehyde predicted the presence of twelve conformations. The geometry of the twelve conformations established at the B3LYP/6-31G* level showed only six unique ones. Vibrational frequencies were calculated at the B3LYP/6-31G* level. The calculated vibrational frequencies enabled us to interpret the appearance of two bands corresponding to the C=O stretching mode of 5,12-dihydro-5,12-ethanonaphthacene-13-carbaldehyde. The first band corresponded to the 5,12-dihydro-5,12-ethanonaphthacene-13-carbaldehyde structure where the aldehyde group O atom was above the benzene or naphthalene ring. The other band was due to the O atom of the aldehyde group pointing out of the benzene or naphthalene ring.
| Reference Key |
almansour2011moleculescomputational
Use this key to autocite in the manuscript while using
SciMatic Manuscript Manager or Thesis Manager
|
|---|---|
| Authors | ;Abdulrahman I. Almansour;Adel A. El-Azhary;Usama Karama;Mohammed H. Jaafar;Turki M. Al-Turki;Abdulla A. Al-Kahtani |
| Journal | Journal of ethnopharmacology |
| Year | 2011 |
| DOI |
10.3390/molecules16086741
|
| URL | |
| Keywords |
Citations
No citations found. To add a citation, contact the admin at info@scimatic.org
Comments
No comments yet. Be the first to comment on this article.