Supporting Information
High Resolution Slice Selection NMR for solvated CO2
diffusion under non-equilibrium conditions
Jesse Allen and Krishnan Damodaran*
National Energy Technology Laboratory, Pittsburgh, PA 15236
Department of Chemistry, University of Pittsburgh, Pittsburgh PA 15260
Slice selection pulse sequence for 1H observation:
;zgcg
;$CLASS=HighRes
;$DIM=1D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
prosol relations=<triple>
#include <Avance.incl>
#include <Grad.incl>
"p2=p1*2"
"d12=20u"
1 ze
2 30m
d1
50u UNBLKGRAD
gron1
(p11:sp1 ph1):f1
5u groff
15u BLKGRAD
go=2 ph31
30m mc #0 to 2 F0(zd)
exit
ph1=0 2 2 0 1 3 3 1
ph31=0 2 2 0 1 3 3 1
Slice selection pulse sequence for 13C observation:
;zgigcg
;$CLASS=HighRes
;$DIM=1D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
prosol relations=<triple>
#include <Avance.incl>
#include <Grad.incl>
"d11=30m"
"acqt0=-p1*2/3.1416"
"p2=p1*2"
"d12=20u"
1 ze
d11 pl12:f2
2 30m
d1
5u UNBLKGRAD
5u gron1
(p11:sp1 ph1):f1
5u groff
55u gron2
groff
5u BLKGRAD
go=2 ph31 cpd2:f2
30m do:f2 mc #0 to 2 F0(zd)
exit
ph1=0 2 2 0 1 3 3 1
ph31=0 2 2 0 1 3 3 1
Table S1: Integrated intensities of BMIM Tf2N and CO2 resonances and Diffusion coefficients of CO2
CO2
C#2*
C#3*
C#5*
mol %
mol %
D (m^2/s)
CO2
CO2
± 2E10-10
12.8889
28.7861
29.0216
29.3034
30.74207 30.74207 3.17E-08
10.6992
29.7862
30.0613
29.4533
26.43989 26.43989 1.65931E-07
8.3305
32.0168
30.4392
29.2136
21.42231 21.42231 3.42981E-07
7.8983
29.0642
31.7619
31.2756
20.46252 20.46252 6.2169E-07
6.0473
27.086
33.7912
33.0756
16.18444 16.18444 8.28026E-07
*Please see 13C spectrum below for carbon assignments
CO2
2
8
7
CF3
5
6
DMSO-d6
3
Figure S1: Assignment of the 13C NMR spectrum of BMIM-Tf2N with CO2
9
10