NDLI: Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N′-2,2-phenylenebis(oxamate)

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Mambrini, Raquel V. Stumpf, Humberto O. Julve, Miguel Marinho, Maria V. Déniz, Mariadel Lloret, Francesc Cangussu, Danielle Ribeiro, Marcos A. Ferrando-soria, Jesús Simões, Tatiana R. G. Ruiz-pérez, Catalina Pinheiro, Carlos B. Reis, Daniella O.
Description	Author Affiliation: Simões TR ( Departamento de Química, ICEX, Universidade Federal de Minas Gerais, Av. Antônio Carlos 6627, Belo Horizonte-MG, 31270-901, Brazil.)
Abstract	We herein present the synthesis and X-ray structures of five copper(II) complexes of formulae $[Cu(bpca)(CF_{3}SO_{3})(H_{2}O)]·H_{2}O$ (1), $[Cu(bpca)(Phpr)(H_{2}O)]·3/2H_{2}O$ (2), $\{[Cu(bpca)]_{2}[Cu(opba)(H_{2}O)]\}·H_{2}O$ (3), $\{[Cu(bpca)]_{2}(H_{2}opba)\}_{2}·6H_{2}O$ (4) and $[Cu(bpca)(EtH_{2}opba)]_{n}$ (5), where bpca = bis(2-pyridylcarbonyl)amidate, Phpr = 3-phenylpropionate , $CF_{3}SO_{3}^{−}$ = triflate (anion of the trifluoromethanesulphonic acid), $H_{4}opba$ = N, N′-1,2-phenylenebis(oxamic acid) , and $EtH_{3}opba$ = monoethyl ester derivative of the $H_{4}opba.$ 1 and 2 are mononuclear copper(II) complexes where the copper atom is five-coordinate in distorted square pyramidal surroundings with a tridentate bpca and a water molecule (1)/carboxylate oxygen (2) building the basal plane and a triflate oxygen (1)/ water molecule (2) filling the apical position. 3 is a neutral tricopper(II) complex where the $[Cu(opba)(H_{2}O)]^{2−}$ unit acts as a bis-bidentate ligand toward two peripheral $[Cu(bpca)]^{+}$ fragments. The three crystallographically independent copper(II) ions in 3 are five-coordinate with two nitrogen and two oxygen atoms (inner copper atom )/three bpca- nitrogen and an oxamate oxygen (outer copper atom ) building the basal plane plus a water molecule (inner copper)/an oxamate oxygen (outer copper) in the apical position (inner copper atom ) of somewhat distorted square pyramidal surroundings. 4 is a centrosymmetric tetracopper(II) compound where four $[Cu(bpca)]^{+}$ fragments are assembled by two $H_{2}opba^{2−}$ groups adopting an unusual bidentate/bis-monodentate bridging mode. The two crystallographically independent copper(II) ions in 4 are also five-coordinate having the three bpca- nitrogens in basal positions, the other two sites of the distorted square pyramid being filled by two oxygens of either a bidentate oxamate (at one copper centre) or two bis-monodentate oxamates (at the other copper atom ). 5 is a zigzag chain of $[Cu(bpca)(H_{2}O)]^{+}$ units which are connected through the $EtH_{2}opba^{−}$ ligand adopting a bidentate/monodentate bridging mode across the monodeprotonated oxamate group. Each copper(II) ion in 5 is six-coordinate in an elongated octahedral $CuN_{3}O_{3}$ chromophore . The magnetic properties of 3–5 were investigated in the temperature range 1.9–300 K. 3 exhibits an intermediate intramolecular antiferromagnetic interaction [J = −65.8(2) $cm^{−1}$ with the Hamiltonian H = $−J(S_{Cu1}·S_{Cu2}$ + $S_{Cu2}·S_{Cu3})]$ which leads to a low-lying spin doublet at low temperatures. A weak antiferromagnetic coupling between the inner copper(II) ions occurs in 4 [J = −2.36(2) $cm^{−1},$ H = $−JS_{1}·S_{2})]$ and a very small intrachain antiferromagnetic interaction is observed in 5 [J = −0.17(1) $cm^{−1}$ with H = $−J∑_{i}S_{i}·S_{i+1}].$ These values are analyzed by means of simple orbital symmetry considerations and compared with those previously reported for parent systems.
ISSN	14779226
Issue Number	16
Journal	Dalton Trans.
Volume Number	42
e-ISSN	13645447
Language	English
Publisher	Royal Society of Chemistry
Publisher Date	2013-04-28
Publisher Place	Great Britain (UK)
Access Restriction	Subscribed
Subject Keyword	Chemistry
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in