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Role of Spin State and Ligand Charge in Coordination Patterns in Complexes of 2,6-Diacetylpyridinebis(semioxamazide) with 3d-Block Metal Ions: A Density Functional Theory Study

Overview of attention for article published in Inorganic Chemistry, November 2013
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  • High Attention Score compared to outputs of the same age and source (97th percentile)

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7 tweeters
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1 Facebook page

Citations

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14 Dimensions

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18 Mendeley
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Title
Role of Spin State and Ligand Charge in Coordination Patterns in Complexes of 2,6-Diacetylpyridinebis(semioxamazide) with 3d-Block Metal Ions: A Density Functional Theory Study
Published in
Inorganic Chemistry, November 2013
DOI 10.1021/ic401752n
Pubmed ID
Authors

Stepan Stepanović, Ljubica Andjelković, Matija Zlatar, Katarina Andjelković, Maja Gruden-Pavlović, Marcel Swart

Abstract

We report here a systematic computational study on the effect of the spin state and ligand charge on coordination preferences for a number of 3d-block metal complexes with the 2,6-diacetylpyridinebis(semioxamazide) ligand and its mono- and dianionic analogues. Our calculations show excellent agreement for the geometries compared with the available X-ray structures and clarify some intriguing experimental observations. The absence of a nickel complex in seven-coordination is confirmed here, which is easily explained by inspection of the molecular orbitals that involve the central metal ion. Moreover, we find here that changes in the spin state lead to completely different coordination modes, in contrast to the usual situation that different spin states mainly result in changes in the metal-ligand bond lengths. Both effects result from different occupations of a combination of π- and σ-antibonding and nonbonding orbitals.

Twitter Demographics

The data shown below were collected from the profiles of 7 tweeters who shared this research output. Click here to find out more about how the information was compiled.

Mendeley readers

The data shown below were compiled from readership statistics for 18 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Japan 1 6%
Unknown 17 94%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 8 44%
Professor > Associate Professor 2 11%
Professor 2 11%
Researcher 2 11%
Librarian 1 6%
Other 1 6%
Unknown 2 11%
Readers by discipline Count As %
Chemistry 11 61%
Computer Science 1 6%
Chemical Engineering 1 6%
Unknown 5 28%

Attention Score in Context

This research output has an Altmetric Attention Score of 5. 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 03 December 2013.
All research outputs
#5,603,769
of 20,957,071 outputs
Outputs from Inorganic Chemistry
#2,887
of 19,975 outputs
Outputs of similar age
#71,878
of 301,445 outputs
Outputs of similar age from Inorganic Chemistry
#13
of 438 outputs
Altmetric has tracked 20,957,071 research outputs across all sources so far. This one has received more attention than most of these and is in the 73rd percentile.
So far Altmetric has tracked 19,975 research outputs from this source. They receive a mean Attention Score of 2.6. This one has done well, scoring higher than 85% 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 301,445 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 75% of its contemporaries.
We're also able to compare this research output to 438 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 97% of its contemporaries.