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in / out Isomerism of cyclophanes: a theoretical account of 2,6,15-trithia-[3 4,10 ][7]metacyclophane and [3 4,10 ][7]metacyclophane as well as their halogen substituted analogues

Overview of attention for article published in Journal of the Chemical Society, Faraday Transactions, January 2017
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  • In the top 25% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (82nd percentile)
  • High Attention Score compared to outputs of the same age and source (96th percentile)

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Title
in / out Isomerism of cyclophanes: a theoretical account of 2,6,15-trithia-[3 4,10 ][7]metacyclophane and [3 4,10 ][7]metacyclophane as well as their halogen substituted analogues
Published in
Journal of the Chemical Society, Faraday Transactions, January 2017
DOI 10.1039/c7cp00557a
Pubmed ID
Authors

Milena Vujović, Matija Zlatar, Miloš Milčić, Maja Gruden

Abstract

A detailed theoretical investigation of cyclophanes with a divergent set of methods ranging from molecular mechanics through semiempirical to ab initio is presented. Cyclophanes have attracted interest over the years due to their unusual chemistry and increasing applications. There has been previous debate over the effects contributing to the greater stability of more-crowded in isomers of certain cyclophanes, and a higher strain in the out isomer was the prevailing explanation. Application of EDA-NOCV and SAPT analysis has enabled us to distinguish between different effects controlling isomer stability and determine the significance of all effects involved. Our results show that, although strain has a large significance, orbital stabilization within the molecule from the aromatic electron density is crucial. Furthermore, we analysed halogen-substituted cyclophanes in order to further understand these subtle effects.

X Demographics

X Demographics

The data shown below were collected from the profiles of 4 X users who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 10 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 10 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 3 30%
Student > Doctoral Student 1 10%
Student > Bachelor 1 10%
Student > Master 1 10%
Researcher 1 10%
Other 1 10%
Unknown 2 20%
Readers by discipline Count As %
Chemistry 4 40%
Materials Science 1 10%
Biochemistry, Genetics and Molecular Biology 1 10%
Unknown 4 40%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 9. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 10 July 2020.
All research outputs
#4,113,052
of 25,382,440 outputs
Outputs from Journal of the Chemical Society, Faraday Transactions
#824
of 17,006 outputs
Outputs of similar age
#74,406
of 421,709 outputs
Outputs of similar age from Journal of the Chemical Society, Faraday Transactions
#65
of 1,744 outputs
Altmetric has tracked 25,382,440 research outputs across all sources so far. Compared to these this one has done well and is in the 83rd percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 17,006 research outputs from this source. They receive a mean Attention Score of 2.5. This one has done particularly well, scoring higher than 95% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 421,709 tracked outputs that were published within six weeks on either side of this one in any source. This one has done well, scoring higher than 82% of its contemporaries.
We're also able to compare this research output to 1,744 others from the same source and published within six weeks on either side of this one. This one has done particularly well, scoring higher than 96% of its contemporaries.