Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Aromaticity in stable tiara nickel thiolates: computational and structural analysis.

Ayan Datta1, Neena S John, G U Kulkarni

  • 1Theoretical Sciences Unit, Jawaharlal Nehru Center for Advanced Scientific Research, Jakkur P. O, Bangalore-560064, India.

The Journal of Physical Chemistry. A
|December 22, 2005
PubMed
Summary

Cyclic metal rings of nickel thiolates form highly symmetric polygonal structures due to d-orbital electron delocalization. This phenomenon, termed d-orbital aromaticity, explains their unique, stable shapes.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Heterometallic ludwigite M<sub>2.5</sub>T<sub>0.5</sub>(O<sub>2</sub>BO<sub>3</sub>) and (M<sub>2</sub>T)(O<sub>2</sub>BO<sub>3</sub>) (M = Co, Ni, Cu; T = Ti, Sn, Fe) compounds as electrocatalysts.

Dalton transactions (Cambridge, England : 2003)·2026
Same author

Design Principles for Negative Thermal Expansion in Two-Dimensional Materials.

Accounts of chemical research·2026
Same author

Structural Insights into AgBi(SC<sub>12</sub>H<sub>25</sub>)<sub>4</sub> Mixed-Metal <i>n</i>-Alkanethiolate: Heterometallic Thiolate Bridging and Metallophilic Interaction-Directed Self-Assembly.

Inorganic chemistry·2026
Same author

Dissipation induced localization transitions in an open quasiperiodic ladder.

Journal of physics. Condensed matter : an Institute of Physics journal·2026
Same author

Dynamic surface reconstruction governs the hydrogen evolution activity of Mo<sub>2</sub>C electrocatalysts in alkaline media.

Materials horizons·2026
Same author

Moiré-pattern-assisted thermoelectric enhancement in tungsten diselenide bilayer.

Physical chemistry chemical physics : PCCP·2026

Area of Science:

  • Inorganic Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Nickel thiolates ([NiS2]n and [Ni(SR)2]n) are known to form cyclic structures.
  • The specific structural and electronic properties of these rings require further investigation.

Purpose of the Study:

  • To elucidate the structural basis for the highly symmetric polygonal shapes of nickel thiolate rings.
  • To introduce and define the concept of d-orbital aromaticity in cyclic metal systems.

Main Methods:

  • Quantum chemical calculations were performed to analyze electronic structures.
  • Crystallographic analyses were used to determine the precise atomic arrangements.
  • Computational modeling was employed to study electron delocalization and bond lengths.

Related Experiment Videos

Main Results:

  • Nickel(n) rings (n = 3-6) in tiara nickel thiolates exhibit highly symmetric polygonal structures.
  • Effective delocalization of d-orbital electrons across the Ni(n) rings leads to bond length equalization.
  • This electronic delocalization results in aromaticity within the metal rings.

Conclusions:

  • The observed polygonal structures of nickel thiolate rings are attributed to d-orbital aromaticity.
  • D-orbital aromaticity is proposed as a novel concept to explain the stability and symmetry of these cyclic metal systems.
  • This study provides a new theoretical framework for understanding the properties of inorganic cyclic compounds.