0000000001305098

AUTHOR

Rosa M. Gomila

Iodine(i) complexes incorporating sterically bulky 2-substituted pyridines

The silver(I) and iodine(I) complexes of the 2-substituted pyridines 2-(diphenylmethyl)pyridine (1) and 2-(1,1-diphenylethyl)pyridine (2), along with their potential protonated side products, were synthesised to investigate the steric limitations of iodine(I) complex formation. The complexes were characterised by 1H and 1H–15N HMBC NMR, X-ray crystallography, and DFT calculations. The solid-state structures for the silver(I) and iodine(I) complexes were extensively compared to the literature and analysed by DFT to examine the influence of the sterically bulky pyridines and their anions. peerReviewed

research product

Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight

The crystal structure and magnetic properties of two mononuclear iron(III) Schiff base complexes, [FeL1(NCS)2] (1), HL1 = 2-[1-[[2-[(2-aminoethyl)amino]ethyl]imino]ethyl]phenol and [FeL2(N3)Cl] (2), HL2 = 2-(-1-(2-(2-aminoethylamino)ethylimino)ethyl)-4-methylphenol are reported. Each complex contains a Fe(III) ion surrounded by a N3O Schiff base ligand and two NCS− ligands (in 1) or one N3− and one Cl− ligands (in 2). The magnetic properties can be well reproduced with zero field splittings in the high spin S = 5/2 Fe(III) ions and weak intermolecular Fe–Fe interactions mediated by hydrogen bonds. This intermolecular antiferromagnetic interaction has been validated by using DFT calculations…

research product

CCDC 2036381: Experimental Crystal Structure Determination

Related Article: Tanmoy Basak, Carlos J. Gómez-García, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay|2021|RSC Advances|11|3315|doi:10.1039/D0RA09425K

research product

CCDC 2036380: Experimental Crystal Structure Determination

Related Article: Tanmoy Basak, Carlos J. Gómez-García, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay|2021|RSC Advances|11|3315|doi:10.1039/D0RA09425K

research product