10.1021/ja076094v.s002
Sean A. Dalrymple
Sean A.
Dalrymple
George K. H. Shimizu
George
K. H. Shimizu
Crystal Engineering of a Permanently Porous Network Sustained Exclusively
by Charge-Assisted Hydrogen Bonds
American Chemical Society
2007
N 2 sorption isotherms show
porosity
Pawley refinement
compound 2 e
BSEB
1. Unit cell indexing
sulfonate anions
design modification
Compound 1
Ni
PES
disulfonate anion
Reversible CO 2
divalent metal complexes
Permanently Porous Network Sustained Exclusively
motif
orients pendant groups
pendant groups interdigitate
crystal Engineering
2007-10-10 00:00:00
Dataset
https://acs.figshare.com/articles/dataset/Crystal_Engineering_of_a_Permanently_Porous_Network_Sustained_Exclusively_by_Charge_Assisted_Hydrogen_Bonds/2981989
A permanently porous crystalline solid is reported that is sustained exclusively by charge-assisted H-bonds. The single-crystal X-ray structure of a layered H-bonded solid, compound <b>1</b>, {[Ni(tame)<sub>2</sub>]<sub>1</sub>(PES)<sub>2</sub>}<sub>∞</sub> (tame = 1,1,1-tris(aminomethyl)ethane, PES = 2-phenylethynesulfonate), is reported which shows a hexagonal H-bonding motif between divalent metal complexes and sulfonate anions. This targeted motif, which orients pendant groups such that porosity could be generated, is obtained after two stages of design modification. Compound <b>1</b> is not porous as pendant groups interdigitate. Employing a disulfonate anion, the pillared layered solid {[Ni(tame)<sub>2</sub>]<sub>1</sub>(BSEB)<sub>1</sub>}<sub>∞</sub> (BSEB = 4,4‘-bis(sulfoethynyl)biphenyl), <b>2e</b>, is obtained. This is a highly robust solid for which a likely structure was extracted from powder X-ray diffraction data by analogy to <b>1</b>. Unit cell indexing and Pawley refinement give parameters which correlate exceptionally well for the desired structure. Reversible CO<sub>2</sub> and N<sub>2</sub> sorption isotherms show that compound <b>2e</b> retains permanent porosity.