Spin Polarization, Delocalization, and the Effect of Nonplanarity in Hyperfine Coupling Constants of Perfluorinated Alkyl Radicals

Svetlin Mitov; Alexander Panchenko; Emil Roduner

doi:10.1021/jp070990b

Spin Polarization, Delocalization, and the Effect of Nonplanarity in Hyperfine Coupling Constants of Perfluorinated Alkyl Radicals

The Journal of Physical Chemistry A ◽

10.1021/jp070990b ◽

2007 ◽

Vol 111 (24) ◽

pp. 5294-5299 ◽

Cited By ~ 3

Author(s):

Svetlin Mitov ◽

Alexander Panchenko ◽

Emil Roduner

Keyword(s):

Spin Polarization ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Alkyl Radicals

Determination of the absolute signs of 19F hyperfine coupling constants by chemically induced dynamic nuclear spin polarization (CIDNP) in fluorinated aromatic systems

The Journal of Chemical Physics ◽

10.1063/1.1680493 ◽

1973 ◽

Vol 59 (6) ◽

pp. 3431-3432 ◽

Cited By ~ 3

Author(s):

M. R. Brinkman ◽

D. Bethell ◽

J. Hayes

Keyword(s):

Spin Polarization ◽

Nuclear Spin ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Nuclear Spin Polarization ◽

Hyperfine Coupling Constants ◽

Chemically Induced ◽

Aromatic Systems ◽

The Absolute

ChemInform Abstract: DETERMINATION OF THE ABSOLUTE SIGNS OF (19)F HYPERFINE COUPLING CONSTANTS BY CHEMICALLY INDUCED DYNAMIC NUCLEAR SPIN POLARIZATION IN FLUORINATED AROMATIC SYSTEMS

Chemischer Informationsdienst ◽

10.1002/chin.197403067 ◽

1974 ◽

Vol 5 (3) ◽

pp. no-no

Author(s):

M. R. BRINKMAN ◽

D. BETHELL ◽

J. HAYES

Keyword(s):

Spin Polarization ◽

Nuclear Spin ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Nuclear Spin Polarization ◽

Hyperfine Coupling Constants ◽

Chemically Induced ◽

Aromatic Systems ◽

The Absolute

Spin polarization in restricted electronic structure theory: Multiconfiguration self‐consistent‐field calculations of hyperfine coupling constants

The Journal of Chemical Physics ◽

10.1063/1.462977 ◽

1992 ◽

Vol 97 (5) ◽

pp. 3412-3419 ◽

Cited By ~ 44

Author(s):

Berta Fernandez ◽

Poul Jo/rgensen ◽

Jo/rgen Byberg ◽

Jeppe Olsen ◽

Trygve Helgaker ◽

...

Keyword(s):

Electronic Structure ◽

Spin Polarization ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Electronic Structure Theory ◽

Structure Theory ◽

Hyperfine Coupling Constants ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

The spin polarization model for hyperfine coupling constants

Theoretica Chimica Acta ◽

10.1007/bf01113132 ◽

1992 ◽

Vol 82 (1-2) ◽

pp. 93-115 ◽

Cited By ~ 88

Author(s):

Daniel M. Chipman

Keyword(s):

Spin Polarization ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Polarization Model ◽

Hyperfine Coupling Constants

Effects of static and dynamic perturbations on isotropic hyperfine coupling constants in some quinone radicals

Magnetic Resonance in Chemistry ◽

10.1002/mrc.1521 ◽

2005 ◽

Vol 43 (3) ◽

pp. 231-234 ◽

Cited By ~ 1

Author(s):

S. L. Fiedler ◽

J. Eloranta

Keyword(s):

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Isotropic Hyperfine Coupling ◽

Isotropic Hyperfine Coupling Constants

Theory of hyperfine coupling constants of solvated molecules: Applications involving methyl and ClO2 radicals in different solvents

The Journal of Chemical Physics ◽

10.1063/1.470858 ◽

1996 ◽

Vol 104 (2) ◽

pp. 629-635 ◽

Cited By ~ 12

Author(s):

Berta Fernández ◽

Ove Christiansen ◽

Ota Bludsky ◽

Poul Jo/rgensen ◽

Kurt V. Mikkelsen

Keyword(s):

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Solvated Molecules

Paramagnetic species on catalytic surfaces—DFT investigations into structure sensitivity of the hyperfine coupling constants

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2003.10.043 ◽

2004 ◽

Vol 60 (6) ◽

pp. 1257-1265 ◽

Cited By ~ 4

Author(s):

Zbigniew Sojka ◽

Piotr Pietrzyk

Keyword(s):

Hyperfine Coupling ◽

Structure Sensitivity ◽

Coupling Constants ◽

Paramagnetic Species ◽

Hyperfine Coupling Constants ◽

Catalytic Surfaces

Quantum Chemical Investigation of Hyperfine Coupling Constants on First Coordination Sphere Water Molecule of Gadolinium(III) Aqua Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp053825+ ◽

2005 ◽

Vol 109 (48) ◽

pp. 10997-11005 ◽

Cited By ~ 30

Author(s):

Oleg V. Yazyev ◽

Lothar Helm ◽

Vladimir G. Malkin ◽

Olga L. Malkina

Keyword(s):

Water Molecule ◽

Coordination Sphere ◽

Quantum Chemical ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Chemical Investigation ◽

Hyperfine Coupling Constants ◽

Quantum Chemical Investigation ◽

Aqua Complexes

A theoretical investigation of the effect of a sodium cation on the proton–electron hyperfine coupling constants of the cyclohexadienyl radical and some consequences for the muonium-substituted cyclohexadienyl radical, C6H6Mu, formed in zeolites

Physica B Condensed Matter ◽

10.1016/s0921-4526(00)00291-x ◽

2000 ◽

Vol 289-290 ◽

pp. 598-602 ◽

Cited By ~ 11

Author(s):

Brian Webster ◽

Roderick M. Macrae

Keyword(s):

Theoretical Investigation ◽

Hyperfine Coupling ◽

Sodium Cation ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Cyclohexadienyl Radical

VIVO Versus VIVComplex Formation by Tridentate (O, Narom, O) Ligands: Prediction of Geometry, EPR51V Hyperfine Coupling Constants, and UV–Vis Spectra

Inorganic Chemistry ◽

10.1021/ic400186x ◽

2013 ◽

Vol 52 (9) ◽

pp. 5260-5272 ◽

Cited By ~ 37

Author(s):

Luisa Pisano ◽

Katalin Várnagy ◽

Sarolta Timári ◽

Kaspar Hegetschweiler ◽

Giovanni Micera ◽

...

Keyword(s):

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants