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Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel(II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study

Bhattacharyya, Anik; Bhaumik, Prasanta Kumar; Das, Mithun; Bauza, Antonio; Jana, Partha LU ; Harms, Klaus; Frontera, Antonio and Chattopadhyay, Shouvik (2015) In Polyhedron 101. p.257-269
Abstract
Two centrosymmetric dinuclear nickel(II) complexes, [Ni-2(dmpn)(2)(hap)(2)(mu(1,1)-N-3)(2)] and [Ni-2(dmpn)(2)(hap)(2)(mu(1,1)-N-3)(2)], (dmpn=N,N-dimethyl-1,3-diaminopropane and Hhap = 2-hydroxyacetophenone, Hhan = 1-hydroxy-2-acetonaphthone) have been synthesized and characterized. Single crystal X-ray diffraction analyses confirm the structures of one of the tridentate Schiff bases used and both complexes. Variable temperature (1.8-300 K) magnetic susceptibility measurements indicate the presence of ferromagnetic coupling interactions among nickel(II) centers with J = 29(1) cm(-1) (in 1) and 15.62(2) cm(-1) (in 2). Calculated J values (37 cm(-1) in 1 and 31 cm(-1) in 2, respectively) are in agreement with the values obtained... (More)
Two centrosymmetric dinuclear nickel(II) complexes, [Ni-2(dmpn)(2)(hap)(2)(mu(1,1)-N-3)(2)] and [Ni-2(dmpn)(2)(hap)(2)(mu(1,1)-N-3)(2)], (dmpn=N,N-dimethyl-1,3-diaminopropane and Hhap = 2-hydroxyacetophenone, Hhan = 1-hydroxy-2-acetonaphthone) have been synthesized and characterized. Single crystal X-ray diffraction analyses confirm the structures of one of the tridentate Schiff bases used and both complexes. Variable temperature (1.8-300 K) magnetic susceptibility measurements indicate the presence of ferromagnetic coupling interactions among nickel(II) centers with J = 29(1) cm(-1) (in 1) and 15.62(2) cm(-1) (in 2). Calculated J values (37 cm(-1) in 1 and 31 cm(-1) in 2, respectively) are in agreement with the values obtained experimentally. C-H/pi interactions form supramolecular chains both in 1 and 2. DFT calculations reveal that C-H/pi interaction energies are large negative (Delta E-1 = -12.9 kcal/mol for 1 and Delta E-2 = -17.2 kcal/mol for 2) confirming the relevance of these interactions. The interactions have also been characterized by means of the non-covalent interaction (NCI) plot. (C) 2015 Elsevier Ltd. All rights reserved. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Nickel(II), End-on azide, Dinuclear, Ferromagnetic, DFT calculation, NCI, plot
in
Polyhedron
volume
101
pages
257 - 269
publisher
Elsevier
external identifiers
  • wos:000366077600035
  • scopus:84943259673
ISSN
0277-5387
DOI
10.1016/j.poly.2015.08.026
language
English
LU publication?
yes
id
fe336677-ad69-4e6d-a0ce-e3179cc8391b (old id 8559912)
date added to LUP
2016-01-26 12:54:11
date last changed
2017-09-03 04:17:46
@article{fe336677-ad69-4e6d-a0ce-e3179cc8391b,
  abstract     = {Two centrosymmetric dinuclear nickel(II) complexes, [Ni-2(dmpn)(2)(hap)(2)(mu(1,1)-N-3)(2)] and [Ni-2(dmpn)(2)(hap)(2)(mu(1,1)-N-3)(2)], (dmpn=N,N-dimethyl-1,3-diaminopropane and Hhap = 2-hydroxyacetophenone, Hhan = 1-hydroxy-2-acetonaphthone) have been synthesized and characterized. Single crystal X-ray diffraction analyses confirm the structures of one of the tridentate Schiff bases used and both complexes. Variable temperature (1.8-300 K) magnetic susceptibility measurements indicate the presence of ferromagnetic coupling interactions among nickel(II) centers with J = 29(1) cm(-1) (in 1) and 15.62(2) cm(-1) (in 2). Calculated J values (37 cm(-1) in 1 and 31 cm(-1) in 2, respectively) are in agreement with the values obtained experimentally. C-H/pi interactions form supramolecular chains both in 1 and 2. DFT calculations reveal that C-H/pi interaction energies are large negative (Delta E-1 = -12.9 kcal/mol for 1 and Delta E-2 = -17.2 kcal/mol for 2) confirming the relevance of these interactions. The interactions have also been characterized by means of the non-covalent interaction (NCI) plot. (C) 2015 Elsevier Ltd. All rights reserved.},
  author       = {Bhattacharyya, Anik and Bhaumik, Prasanta Kumar and Das, Mithun and Bauza, Antonio and Jana, Partha and Harms, Klaus and Frontera, Antonio and Chattopadhyay, Shouvik},
  issn         = {0277-5387},
  keyword      = {Nickel(II),End-on azide,Dinuclear,Ferromagnetic,DFT calculation,NCI,plot},
  language     = {eng},
  pages        = {257--269},
  publisher    = {Elsevier},
  series       = {Polyhedron},
  title        = {Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel(II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study},
  url          = {http://dx.doi.org/10.1016/j.poly.2015.08.026},
  volume       = {101},
  year         = {2015},
}