Table 1.
Scalar coupling constants (cf. Figure S1) and optimal 1H→77Se transfer delays (cf. Figure S2) for SeDG and different polarisation transfer schemes.
SeDG signal |
H1 |
H2 |
H3 |
H4 |
---|---|---|---|---|
3 J H,H′ [Hz] |
10.0 |
10.0/9.45 |
9.45/3.4 |
3.4/1.0 |
n J H,Se [Hz] |
7.0 (n=2) |
7.4 (n=3) |
0 (n=4) |
3.2 (n=5) |
Δ calc [ms][a] |
71.4 |
67.6 |
– |
156 |
Δ opt [ms][b] |
70 |
>100 |
85 |
>100 |
Δ opt,HeHaHa [ms][c] |
70 |
80 |
100 |
140 |
Δ opt,selHeHaHa [ms][d] |
100 |
– |
– |
– |
Δ calc,selHeHaHa [ms][e] |
101 |
– |
– |
– |
[a] Theoretical transfer delay Δ calc = 1/(2⋅n J H,Se) in the absence of competing couplings and relaxation. [b] Optimal transfer delay for the 1H,77Se CPMG‐HSQMBC experiment; duty cycle limitations precluded sampling for Δ > 100 ms. [c] Optimal transfer delay for the broadband 1H,77Se HeHaHa experiment. [d] Optimal transfer delay for the selective H1,77Se HeHaHa experiment. [e] Theoretical transfer delay Δ calc,selHeHaHa = 1/(√2⋅2 J H1,Se) in the absence of HoHaHa.