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
(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
- Bhattacharyya, Anik ; Bhaumik, Prasanta Kumar ; Das, Mithun ; Bauza, Antonio ; Jana, Partha LU ; Harms, Klaus ; Frontera, Antonio and Chattopadhyay, Shouvik
- organization
- publishing date
- 2015
- 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
- 2016-04-01 14:23:11
- date last changed
- 2022-03-14 05:36:43
@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}},
keywords = {{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}},
doi = {{10.1016/j.poly.2015.08.026}},
volume = {{101}},
year = {{2015}},
}