English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Electronic properties of the S = 5/2 Mn(II) complexes [Mn{PhC(O)NP(O)PPh2}(N,N)(NO3)], (N,N) = phenanthroline, neocuproine, 2,2′-bipyridine

Nano, K., Zahariou, G., Ioannou, P.-C., Alam, M. M., Pantazis, D. A., Raptopoulou, C. P., et al. (2021). Electronic properties of the S = 5/2 Mn(II) complexes [Mn{PhC(O)NP(O)PPh2}(N,N)(NO3)], (N,N) = phenanthroline, neocuproine, 2,2′-bipyridine. Polyhedron, 207(10): 115374. doi:10.1016/j.poly.2021.115374.

Item is

Basic

show hide
Genre: Journal Article

Files

show Files

Locators

show

Creators

show
hide
 Creators:
Nano, Konstantina1, Author
Zahariou, Georgia2, Author
Ioannou, Polydoros-Chrisovalantis1, Author
Alam, Md Mehboob3, 4, Author              
Pantazis, Dimitrios A.3, Author              
Raptopoulou, Catherine P.2, Author
Psycharis, Vasilis2, Author
Sanakis, Yiannis2, Author
Kyritsis, Panayotis1, Author
Affiliations:
1Inorganic Chemistry Laboratory, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece, ou_persistent22              
2NCSR “Demokritos”, Institute of Nanoscience and Nanotechnology, 15310 Aghia Paraskevi, Athens, Greece, ou_persistent22              
3Research Group Pantazis, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541711              
4Department of Chemistry, Indian Institute of Technology Bhilai, GEC Campus, Sejbahar, Raipur, Chhattisgarh 492015, India, ou_persistent22              

Content

show
hide
Free keywords: Manganese; X-ray crystallography; EPR spectroscopy; DFT; Zero-field splitting
 Abstract: The synthesis, as well as the structural and electronic properties of the [Mn(O,O)(N,N)(NO3)] complexes, (O,O) = {PhC(O)NP(O)PPh2}, (N,N) = phenanthroline (1), neocuproine (2) and 2,2′-bipyridine (3) is reported. The three complexes were structurally characterized by X-ray crystallography, and complexes 1 and 2 were shown to be closer to octahedral, whereas 3 to trigonal prismatic. The zero-field splitting parameters of these S = 5/2 systems were determined by X- and Q-band EPR spectroscopy, revealing a small but significant difference in the magnitude of |D| for complex 3 (0.18 cm−1) compared to those of 1 and 2 (0.14 and 0.12 cm−1, respectively). These differences are attributed to the structural and electronic properties of complexes 1–3. The latter were probed by DFT calculations, which showed different DSOC contributions among the three complexes.

Details

show
hide
Language(s): eng - English
 Dates: 2021-05-012021-07-202021-10-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.poly.2021.115374
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Polyhedron
  Abbreviation : Polyhedron
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Oxford : Pergamon
Pages: - Volume / Issue: 207 (10) Sequence Number: 115374 Start / End Page: - Identifier: ISSN: 0277-5387
CoNE: https://pure.mpg.de/cone/journals/resource/954925622228_2