title: 19F NMR based pH probes: lanthanide(III) complexes with pH-sensitive chemical shifts.
abstract: Experimental measurements and theoretical analysis of magnetic properties, structural dynamics and acid-base equilibria for several lanthanide(III) complexes with tetraazacyclododecane derivatives as 19F NMR chemical shift pH probes are presented; pKa values vary between 6.9 and 7.7, with 18 to 40 ppm chemical shift differences between the acidic and basic forms for Ho(III) complexes possessing T1 values of 10 to 30 ms (4.7-9.4 T, 295 K).
authors.affiliation: Department of Chemistry, Durham University, South Road, Durham, UKDH1 3LE.
authors.forename: Alan M
authors.initials: AM
authors.lastname: Kenwright
authors.forename: Ilya
authors.initials: I
authors.lastname: Kuprov
authors.forename: Elena
authors.initials: E
authors.lastname: De Luca
authors.forename: David
authors.initials: D
authors.lastname: Parker
authors.forename: Shashi U
authors.initials: SU
authors.lastname: Pandya
authors.forename: P Kanthi
authors.initials: PK
authors.lastname: Senanayake
authors.forename: David G
authors.initials: DG
authors.lastname: Smith
mesh_terms: D000465:Algorithms; D000080027:Cyclams; D005461:Fluorine / Q000737:chemistry*; D006571:Heterocyclic Compounds / Q000737:chemistry; D006845:Hydrocarbons, Fluorinated / Q000138:chemical synthesis / Q000737:chemistry*; D006863:Hydrogen-Ion Concentration; D007202:Indicators and Reagents / Q000138:chemical synthesis / Q000737:chemistry; D028581:Lanthanoid Series Elements / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D015394:Molecular Structure; D014867:Water / Q000737:chemistry
chemical_list: D000080027:Cyclams; D006571:Heterocyclic Compounds; D006845:Hydrocarbons, Fluorinated; D007202:Indicators and Reagents; D028581:Lanthanoid Series Elements; D014867:Water; D005461:Fluorine; C038072:cyclen