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dc.contributor.authorDe, Senjuti-
dc.contributor.authorChowdhury, Shubhamoy-
dc.contributor.authorDrew, Michael G B-
dc.contributor.authorDatta, Dipankar-
dc.identifier.issn0975-0975(Online); 0376-4710(Print)-
dc.description.abstractReaction of Cu(ClO4)2.6H2O with the 1:2 condensate of benzildihydrazone and 2-acetylpyridine, in methanol in equimolar ratio yields a green compound which upon recrystallisation from 1:1 CH2Cl2-C6H6 mixture affords [CuL(H2O)](ClO4)2.½C6H6. The complex crystallises in the space group  P-1 with a = 8.028(11) Å, b = 12.316(17) Å, c = 18.14(3) Å, = 97.191(10)o, = 94.657(10)o and = 108.039(10)o. It is single helical with the metal having a distorted trigonal bipyramidal N4O coordination sphere. The acid dissociation constant of the Cu(I) complex in CH3CN is 3.34 ± 0.19. The X band EPR spectrum of the compound is rhombic with g1 = 2.43, g2 = 2.10, g3 = 2.02 and A1 = 79.3 x 10-4 cm-1. The Cu(II/I) potential of the complex in CH2Cl2 at a glassy carbon electrode is 0.43 V vs SCE. It is argued that the copper-water bond persists in the corresponding copper(I) species. Its implications on the single helix-double helix interconversion in copper helicates are discussed. DFT calculations at the B3LYP/ 6-311G** level shows that the binding energy of water in the single helical five-coordinate copper(I) species [CuL(H2O)]+ is ~ 40 kJ mol-1.en_US
dc.publisherNISCAIR-CSIR, Indiaen_US
dc.rights CC Attribution-Noncommercial-No Derivative Works 2.5 Indiaen_US
dc.sourceIJC-A Vol.50A(02) [February 2011]en_US
dc.subjectCoordination chemistryen_US
dc.subjectHelical compoundsen_US
dc.titleEffect of an ancillary ligand on single helix-double helix interconversion in copper complexes. Copper(I)-water bonden_US
Appears in Collections:IJC-A Vol.50A(02) [February 2011]

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