↓ Skip to main content

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
Altmetric Badge

About this Attention Score

  • Average Attention Score compared to outputs of the same age
  • High Attention Score compared to outputs of the same age and source (85th percentile)

Mentioned by

twitter
4 X users
facebook
1 Facebook page

Citations

dimensions_citation
18 Dimensions

Readers on

mendeley
19 Mendeley
You are seeing a free-to-access but limited selection of the activity Altmetric has collected about this research output. Click here to find out more.
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.

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 19 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Japan 1 5%
Unknown 18 95%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 8 42%
Professor > Associate Professor 2 11%
Professor 2 11%
Researcher 2 11%
Librarian 1 5%
Other 1 5%
Unknown 3 16%
Readers by discipline Count As %
Chemistry 11 58%
Chemical Engineering 1 5%
Computer Science 1 5%
Biochemistry, Genetics and Molecular Biology 1 5%
Unknown 5 26%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 3. 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
#14,170,705
of 24,694,993 outputs
Outputs from Inorganic Chemistry
#10,321
of 23,214 outputs
Outputs of similar age
#168,500
of 313,926 outputs
Outputs of similar age from Inorganic Chemistry
#54
of 397 outputs
Altmetric has tracked 24,694,993 research outputs across all sources so far. This one is in the 41st percentile – i.e., 41% of other outputs scored the same or lower than it.
So far Altmetric has tracked 23,214 research outputs from this source. They receive a mean Attention Score of 2.9. This one has gotten more attention than average, scoring higher than 54% 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 313,926 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 45th percentile – i.e., 45% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 397 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 85% of its contemporaries.