SCH-X; X =F, Cl,Br,I Summary: K(eq->ax) (vs T) ax) >(vs T) G # (eq->#) references
DNMR evaluation SCH-X; X =F, Cl,Br,I Summary: K(eq->ax) (vs T) ax) >(vs T) G # (eq->#) References DNMR simulations: Figs for publications SCH-X; C3-C5:
Comp./ X in SCH-X Measured Temp. Range/K K (eq- >ax) G (eq->ax)/ kcal/mol T fyrir G (eq->ax)/ K Average G#(eq- >#) In temp. range kcal/mol References F (2) annsoknir/papers/organom pdf Cl (6) annsoknir/SCH/July12/SCH-Cl- Sp.%20vs%20T ppthttps://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-Cl- Sp.%20vs%20T ppt & annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T xls annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T xls Br (3) annsoknir/SCH/July12/SCH- Br-Sp.%20vs%20T ppt annsoknir/SCH/July12/SCH- Br-Sp.%20vs%20T ppt & annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T xls annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T xls I (3) annsoknir/SCH/July12/SCH-I- Sp.%20vs%20T ppthttps://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-I- Sp.%20vs%20T ppt & annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T xls annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T xls
DNMR simulations: Figs for publications SCH-X; C3-C5:
k eq,ax (s -1 ) Calc.Exp. T(K) ppm X=Cl:
k eq,ax /s -1 Calc.Exp. T(K) OR in color / X=Cl: ppm
k eq,ax (s -1 ) Calc.Exp. T(K) Lay:,2 Gr:2 X=Br: ppm
X=I: k eq,ax (s -1 ) Calc. Exp. T(K) ppm Lay: 2 Gr:2