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. Author manuscript; available in PMC: 2019 May 9.
Published in final edited form as: J Am Chem Soc. 2018 May 31;140(23):7267–7281. doi: 10.1021/jacs.8b03546

Table 4.

Ligand Donor Parameter (LDP) Effects on the Rate of py3TiX2NtBu-Catalyzed Pyrrole Formation from 3-Hexyne and Azobenzenea

graphic file with name nihms-1021569-t0021.jpg
catalyst kobs × 105 LDPb % BurVc
py3TiCl2NtBu 0.42 ± 0.17 15.05 16.8
py3TiBr2NtBu 0.97 ± 0.17 15.45 18.1
py3TiI2NtBu 2.34 ± 0.11 15.80 19.2
[py2TiCl2NtBu]2 5.97 ± 0.4 15.05 16.8
a

Reaction conditions can be found in Table S6.

b

Ligand donar parameter.53,54

c

Percent buried volume from SambVca.56