216
N. Tshilande and L. Mammino
d-r-η-p-a-e-j
d-r-η-p-a-e-k
d-r-η-p-a-f-k
d-r-η-p-b-e-k
d-r-η-p-b-e-j
d-r-η-p-b-f-j
d-r-η-p-b-f-k
d-r-η-u-p-a-e-j
d-r-q-a-e-j
d-r-η-u-p-a-e-k
d-w-p-b-e-j
d-q-b-f-j
d-r-η-u-p-a-f-j
d-r-η-u-p-a-f-k
d-r-q-b-e-k
d-r-η-u-p-b-f-j
d-r-η-u-p-b-f-k
d-r-q-a-f-j
d-r-q-a-f-k
s-w-u-p-a-e-k
Fig. 6 Representative conformers of the model structure. HF/6-31G(d,p) results in vacuo