Variety of polymorphic forms contrasted with uniform crystal packing in sparteine ML2 complexes: Crystal structure, spectroscopic and magnetic properties of (−)-α-isosparteine and (−)-sparteine complexes with CuBr2

Jasiewicz, Beata; Warżajtis, Beata; Rychłewska, Urszula; Toliński, T.

doi:10.1016/j.molstruc.2009.01.013

Journal of Molecular Structure

2009

DOI: 10.1016/j.molstruc.2009.01.013

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Variety of polymorphic forms contrasted with uniform crystal packing in sparteine ML2 complexes: Crystal structure, spectroscopic and magnetic properties of (−)-α-isosparteine and (−)-sparteine complexes with CuBr2

Beata Jasiewicz

Beata Warżajtis

Urszula Rychłewska

et al.

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Cited by 11 publications

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“…considerable effort has been devoted to the study of these compounds by infrared and nuclear magnetic resonance spectroscopy, as well as by X-ray methods. [18][19][20][21]23,24,[26][27][28][41][42][43][44][45] However, the EI and fAB fragmentations of these compounds have not been reported.…”

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Mass Spectrometry of Metal Complexes of Bis-Quinolizidine Alkaloids: Electron Ionization and Fast Atom Bombardment Mass Spectral Study of Copper(II) (–)-Sparteine and (–)-α-Isosparteine Complexes

Jasiewicz

Wyrzykiewicz

2009

Eur J Mass Spectrom (Chichester)

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The electron ionization (EI) and fast atom bombardment (FAB) mass spectral fragmentations of ten copper(II) dichloride (dibromide, diformate, diacetate and dithiocyanate) complexes of (-)-sparteine and (-)-alpha-isosparteine were investigated. Fragmentation pathways, elucidation of which was assisted by accurate mass measurements and metastable transitions (EI-MS), as well as FAB/collision-induced dissociation (CID) mass spectral measurements are discussed. The data obtained create the basis for the differentiation of the ligand (sparteine or alpha-isosparteine) in the investigated complexes. The comparison of the results with those obtained previously for corresponding zinc(II) complexes forms the basis for the differentiation of metals in these compounds. The results show that both EI-MS and FAB-MS are very useful tools for the differentiation of ligands, as well as metals in the series of Zn(II) and Cu(II) dichloride (dibromide, diacetate, diformate, dithioacetate) complexes of (-)-sparteine and (-)-alpha-isosparteine.

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Mass Spectrometry of Metal Complexes of Bis-Quinolizidine Alkaloids: Electron Ionization and Fast Atom Bombardment Mass Spectral Study of Copper(II) (–)-Sparteine and (–)-α-Isosparteine Complexes

Jasiewicz

Wyrzykiewicz

2009

Eur J Mass Spectrom (Chichester)

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Evaluation of Non‐covalent Binding Energies and Optoelectronic Properties of New CuBr₂(C₆H₇N)₂ Complex: DFT Approaches

Chahkandi

Aliabad

2016

Zeitschrift anorg allge chemie

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For the first time, the structural and optoelectronic properties of a new complex formulated as CuBr 2 (C 6 H 7 N) 2 (1) [trans-dibromidobis(3-methylpyridine-κN) copper(II)] were studied by density functional theory (DFT) calculations. They are performed using B3LYP through the Gaussian 09 program and also with full potential linearized augmented plane wave (FP-LAPW) methods within the Generalized Gradient Approximation (GGA) and Hartree-Fock (HF) theory by the Wien2k package. The neutral monomeric complex participates in a variety of non-covalent interactions, including hydrogen bonding and π stacking to create a 2D coordinate plane. The binding energy value of the non-covalent interactions responsible for the crystalline network formation of 1 were calculated using the method of dispersion corrected density functional theory (DFT-D). In this method, the independent smallest fragment (monomer) and subsequently the related network, including seven monomers bearing all non-covalent interactions were optimized. The results demonstrate that hydrogen bonds, especially non-conventional C-H···Br interactions, * Dr. M. Chahkandi work and electronic structure, spectroscopy, chemical, and physical properties such as optical and EO of a new synthesized Cu II complex, copper(II) [CuBr 2 (C 6 H 7 N) 2 ] (1). [28a] The ab initio theoretical method is a good candidate to investigate the electronic structure of the supramolecular compounds, their stabilization energy, vibrational frequencies, and

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Pentacoordinated copper–sparteine complexes with chelating nitrite or nitrate ligand: Synthesis and catalytic aspects

Indra¹,

Mobin²,

Bhaduri³

et al. 2011

Inorganica Chimica Acta

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Variety of polymorphic forms contrasted with uniform crystal packing in sparteine ML2 complexes: Crystal structure, spectroscopic and magnetic properties of (−)-α-isosparteine and (−)-sparteine complexes with CuBr2

Cited by 11 publications

References 43 publications

Mass Spectrometry of Metal Complexes of Bis-Quinolizidine Alkaloids: Electron Ionization and Fast Atom Bombardment Mass Spectral Study of Copper(II) (–)-Sparteine and (–)-α-Isosparteine Complexes

Mass Spectrometry of Metal Complexes of Bis-Quinolizidine Alkaloids: Electron Ionization and Fast Atom Bombardment Mass Spectral Study of Copper(II) (–)-Sparteine and (–)-α-Isosparteine Complexes

Evaluation of Non‐covalent Binding Energies and Optoelectronic Properties of New CuBr₂(C₆H₇N)₂ Complex: DFT Approaches

Pentacoordinated copper–sparteine complexes with chelating nitrite or nitrate ligand: Synthesis and catalytic aspects

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Variety of polymorphic forms contrasted with uniform crystal packing in sparteine ML2 complexes: Crystal structure, spectroscopic and magnetic properties of (−)-α-isosparteine and (−)-sparteine complexes with CuBr2

Cited by 11 publications

References 43 publications

Mass Spectrometry of Metal Complexes of Bis-Quinolizidine Alkaloids: Electron Ionization and Fast Atom Bombardment Mass Spectral Study of Copper(II) (–)-Sparteine and (–)-α-Isosparteine Complexes

Mass Spectrometry of Metal Complexes of Bis-Quinolizidine Alkaloids: Electron Ionization and Fast Atom Bombardment Mass Spectral Study of Copper(II) (–)-Sparteine and (–)-α-Isosparteine Complexes

Evaluation of Non‐covalent Binding Energies and Optoelectronic Properties of New CuBr2(C6H7N)2 Complex: DFT Approaches

Pentacoordinated copper–sparteine complexes with chelating nitrite or nitrate ligand: Synthesis and catalytic aspects

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Evaluation of Non‐covalent Binding Energies and Optoelectronic Properties of New CuBr₂(C₆H₇N)₂ Complex: DFT Approaches