A novel metal-ligand Iodo-bridged Lead(II) compound: Synthesis, crystal structure, thermal properties, and DFT calculations of [Pb(dmp)I 2]n

Behrouz Shaabani; Babak Mirtamizdoust; Davide Viterbo; Gianluca Croce; Hassan Hammud

doi:10.1002/zaac.200900511

A novel metal-ligand Iodo-bridged Lead(II) compound: Synthesis, crystal structure, thermal properties, and DFT calculations of [Pb(dmp)I ₂]_n

Behrouz Shaabani
, Babak Mirtamizdoust
, Davide Viterbo
, Gianluca Croce
, Hassan Hammud

Research output: Contribution to journal › Article › peer-review

Abstract

A novel 1D Pb^II coordination polymer [Pb(dmp)I₂] _n (1) (dmp = 2,9-dimethyl-1,10-phenanthroline) containing a Pb ₂-(μ-I)₂ unit was synthesized and characterized by elemental analysis, IR, ¹H NMR, and ¹³C NMR spectroscopy and studied by thermal, analysis as well. as X-ray crystallography. The single-crystal X-ray data show that the coordination number of Pb^II ions is six, i.e. PbN₂I₄ with "stereo-chemically active" electron lone pairs, and the coordination, sphere is asymmetrical. They also show that the chains interact with each other through π-π stacking interactions, which create a 3D framework. The structure of the title complex has been optimized by density functional theory calculations. The calculated structural, parameters and the IR spectra of the title complex are in agreement with the crystal, structure.

Original language	English
Pages (from-to)	1596-1600
Number of pages	5
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	636
Issue number	8
DOIs	https://doi.org/10.1002/zaac.200900511
Publication status	Published - Aug 2010
Externally published	Yes

Keywords

-π
Coordination polymers
Iodine
Lead
Organic-inorganic hybrid composites
Stacking
π

Access to Document

10.1002/zaac.200900511

Cite this

@article{694c9494f9dc41a58c9977e942ab6f49,

title = "A novel metal-ligand Iodo-bridged Lead(II) compound: Synthesis, crystal structure, thermal properties, and DFT calculations of [Pb(dmp)I 2]n",

abstract = "A novel 1D PbII coordination polymer [Pb(dmp)I2] n (1) (dmp = 2,9-dimethyl-1,10-phenanthroline) containing a Pb 2-(μ-I)2 unit was synthesized and characterized by elemental analysis, IR, 1H NMR, and 13C NMR spectroscopy and studied by thermal, analysis as well. as X-ray crystallography. The single-crystal X-ray data show that the coordination number of PbII ions is six, i.e. PbN2I4 with {"}stereo-chemically active{"} electron lone pairs, and the coordination, sphere is asymmetrical. They also show that the chains interact with each other through π-π stacking interactions, which create a 3D framework. The structure of the title complex has been optimized by density functional theory calculations. The calculated structural, parameters and the IR spectra of the title complex are in agreement with the crystal, structure.",

keywords = "-π, Coordination polymers, Iodine, Lead, Organic-inorganic hybrid composites, Stacking, π",

author = "Behrouz Shaabani and Babak Mirtamizdoust and Davide Viterbo and Gianluca Croce and Hassan Hammud",

year = "2010",

month = aug,

doi = "10.1002/zaac.200900511",

language = "English",

volume = "636",

pages = "1596--1600",

journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",

issn = "0044-2313",

publisher = "Wiley-VCH Verlag",

number = "8",

}

A novel metal-ligand Iodo-bridged Lead(II) compound: Synthesis, crystal structure, thermal properties, and DFT calculations of [Pb(dmp)I ₂]_n. / Shaabani, Behrouz; Mirtamizdoust, Babak; Viterbo, Davide et al.
In: Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 636, No. 8, 08.2010, p. 1596-1600.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - A novel metal-ligand Iodo-bridged Lead(II) compound

T2 - Synthesis, crystal structure, thermal properties, and DFT calculations of [Pb(dmp)I 2]n

AU - Shaabani, Behrouz

AU - Mirtamizdoust, Babak

AU - Viterbo, Davide

AU - Croce, Gianluca

AU - Hammud, Hassan

PY - 2010/8

Y1 - 2010/8

N2 - A novel 1D PbII coordination polymer [Pb(dmp)I2] n (1) (dmp = 2,9-dimethyl-1,10-phenanthroline) containing a Pb 2-(μ-I)2 unit was synthesized and characterized by elemental analysis, IR, 1H NMR, and 13C NMR spectroscopy and studied by thermal, analysis as well. as X-ray crystallography. The single-crystal X-ray data show that the coordination number of PbII ions is six, i.e. PbN2I4 with "stereo-chemically active" electron lone pairs, and the coordination, sphere is asymmetrical. They also show that the chains interact with each other through π-π stacking interactions, which create a 3D framework. The structure of the title complex has been optimized by density functional theory calculations. The calculated structural, parameters and the IR spectra of the title complex are in agreement with the crystal, structure.

AB - A novel 1D PbII coordination polymer [Pb(dmp)I2] n (1) (dmp = 2,9-dimethyl-1,10-phenanthroline) containing a Pb 2-(μ-I)2 unit was synthesized and characterized by elemental analysis, IR, 1H NMR, and 13C NMR spectroscopy and studied by thermal, analysis as well. as X-ray crystallography. The single-crystal X-ray data show that the coordination number of PbII ions is six, i.e. PbN2I4 with "stereo-chemically active" electron lone pairs, and the coordination, sphere is asymmetrical. They also show that the chains interact with each other through π-π stacking interactions, which create a 3D framework. The structure of the title complex has been optimized by density functional theory calculations. The calculated structural, parameters and the IR spectra of the title complex are in agreement with the crystal, structure.

KW - -π

KW - Coordination polymers

KW - Iodine

KW - Lead

KW - Organic-inorganic hybrid composites

KW - Stacking

KW - π

UR - https://www.scopus.com/pages/publications/77955486438

U2 - 10.1002/zaac.200900511

DO - 10.1002/zaac.200900511

M3 - Article

SN - 0044-2313

VL - 636

SP - 1596

EP - 1600

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

IS - 8

ER -

A novel metal-ligand Iodo-bridged Lead(II) compound: Synthesis, crystal structure, thermal properties, and DFT calculations of [Pb(dmp)I ₂]_n

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this