A Chain of Changes: Influence of Noncovalent Interactions on the
One-Dimensional Structures of Nickel(II) Dicarboxylate Coordination
Polymers with Chelating Aromatic Amine Ligands
YongBok Go
Xiqu Wang
Ekaterina V. Anokhina
Allan J. Jacobson
10.1021/ic049341u.s001
https://acs.figshare.com/articles/dataset/A_Chain_of_Changes_Influence_of_Noncovalent_Interactions_on_the_One_Dimensional_Structures_of_Nickel_II_Dicarboxylate_Coordination_Polymers_with_Chelating_Aromatic_Amine_Ligands/3327688
Five one-dimensional coordination polymers, Ni(BDC)(1,10-phen) (<b>1</b>), Ni(BDC)(2,2‘-bipy)·0.75H<sub>2</sub>BDC (<b>2</b>),
Ni(BDC)(1,10-phen)(H<sub>2</sub>O) (<b>3</b>), Ni(BDC)(1,10-phen)(H<sub>2</sub>O)·0.5H<sub>2</sub>BDC (<b>4</b>) and Ni(BDC)(2,2‘-bipy)(H<sub>2</sub>O) (<b>5</b>) [where BDC
= 1,4-benzenedicarboxylate, 2,2-bipy = 2,2‘-bipyridine, and 1,10-phen = 1,10-phenanthroline] that have the same
topology but markedly different geometry and packing of the chains have been synthesized by hydrothermal reactions.
The results of variations of synthesis conditions and substitutions of 1,10-phenanthroline with 2,2‘-bipyridine indicate
that incorporation of the coordinating water molecule, which affects the degree of bending of the chain, is primarily
influenced by the amine ligand size, suggesting a substantial structural role of aromatic−aromatic interactions and
amine ligand steric effects. The incorporation of the guest H<sub>2</sub>BDC molecules was found to be favored by lower pH
conditions. Crystal data: <b>1</b>, monoclinic, space group <i>P</i>2<sub>1</sub>/<i>n</i>, <i>a</i> = 9.5589(6) Å, <i>b</i> = 12.6776(8) Å, <i>c</i> = 13.5121(9)
Å, β = 95.437(1)°, <i>Z</i> = 4; <b>2</b>, monoclinic, space group <i>P</i>2<sub>1</sub>/<i>c</i>, <i>a</i> = 20.532(3) Å, <i>b</i> = 21.505(3) Å, <i>c</i> = 18.872(3)
Å, β = 93.86(1)°, <i>Z</i> = 16; <b>3</b>, triclinic, space group <i>P</i>1̄, <i>a</i> = 8.618(3) Å, <i>b</i> = 10.058(4) Å, <i>c</i> = 11.353(4) Å, α =
115.31(1)°, β = 92.33(1)°, γ = 94.03(1)°, <i>Z</i> = 2; <b>4</b>, triclinic, space group <i>P</i>1̄, <i>a</i> = 9.7682(12) Å, <i>b</i> = 10.6490(13)
Å, <i>c</i> = 11.2468(14) Å, α = 76.685(2)°, β = 65.309(2)°, γ = 85.612(2)°, <i>Z</i> = 2; <b>5</b>, monoclinic, space group
<i>P</i>2<sub>1</sub>/<i>c</i>, <i>a</i> = 13.9683(9) Å, <i>b</i> = 17.4489(11) Å, <i>c</i> = 13.7737(9) Å, β = 99.12(1)°, <i>Z</i> = 8.
2004-08-23 00:00:00
phenanthroline
amine ligand steric effects
Chelating Aromatic Amine Ligands
Noncovalent Interactions
amine ligand size
bipyridine
hydrothermal reactions
synthesis conditions
Ni
guest H 2 BDC molecules
incorporation
triclinic
coordination polymers
water molecule
pH conditions