Evidence map›Paper›PMID 26635143›Full record

ArticleJournal of molecular modeling2015

Dyotropic rearrangement of bridgehead substituents in closed dithienylethenes; conjugated verses non-conjugated analogues.

Tariq Mahmood, Muhammad Arshad, Mazhar Amjad Gilani, Zafar Iqbal, Khurshid Ayub

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Article in Journal of molecular modeling, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

5 authors.

Tariq MahmoodDepartment of Chemistry, COMSATS Institute of Information Technology, Abbottabad, 22060, Pakistan. mahmood@ciit.net.pk.
Muhammad ArshadInstitute of Chemistry, University of the Punjab, Lahore, Pakistan.
Mazhar Amjad GilaniDepartment of Chemistry, College of Science and Humanity Studies, Prince Sattam bin Abdulaziz University, P.O. Box 83, Alkharj, 11942, Saudi Arabia.
Zafar IqbalDepartment of Chemistry, COMSATS Institute of Information Technology, Abbottabad, 22060, Pakistan.
Khurshid AyubDepartment of Chemistry, COMSATS Institute of Information Technology, Abbottabad, 22060, Pakistan. khurshid@ciit.net.pk.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Type I dyotropic rearrangement reactions of halogen and methyl substituents at the bridgehead position of diarylethenes and dihydroarylethenes have been studied through density functional theory at B3LYP/6-31+G(d) level. The calculations have been performed to explore the dyotropic rearrangement as a possible factor for the elusive nature of halogenated dithienylethenes (closed). The dyotropic rearrangement process in closed dithienylethenes is then compared with the dihydro analogues. Moreover, the effect of hetero atom and conjugation is also explored through quantum mechanical calculations.

Indexed as

Density functional theoryHalogenated dithienylethenesStructure–property relationshipType I dyotropic rearrangement

Identifiers

PMID26635143

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