N Ligands: Coordination Chemistry and Living Ring … · S1 Electronic supplementary information . Zirconium and Hafnium Complexes Containing N-alkyl Substituted Amine Biphenolate
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S1
Electronic supplementary information
Zirconium and Hafnium Complexes Containing N-alkyl Substituted Amine Biphenolate Ligands: Coordination Chemistry and Living Ring-opening Polymerization Catalysis
Lan-Chang Liang,* Sheng-Ta Lin, Chia-Cheng Chien, and Ming-Tsz Chen
Department of Chemistry and Center for Nanoscience & Nanotechnology, National Sun Yat-
Contents Figure S1. The 1H NMR spectra (300 MHz) of [1b]Zr(OiPr)2(HOiPr) (2bHOiPr, blue)
and [1b]Zr(OiPr)2 (2b, red) in C6D6 at room temperature. Figure S2. 1H NMR spectrum (CDCl3, 300 MHz) of PCLs prepared by 3cMeCN
catalyzed ROP of ε-CL ([ε-CL]0/[3cMeCN]0 = 100). Figure S3. Linear plot of Mn of PCLs prepared by 3b versus polymerization time.
Conditions: [ε-CL]0/[3b]0 = 250, toluene, 25 ºC. Figure S4. Linear plot of Mn of PCLs prepared by 3cMeCN versus polymerization
time. Conditions: [ε-CL]0/[3cMeCN]0 = 400, toluene, 25 ºC. Figure S5. The 1H (300 MHz) and 13C{1H} (126 MHz) NMR spectra of [1a]Hf(OiPr)2
(3a) in C6D6 at room temperature. Figure S6. The 1H (300 MHz) and 13C{1H} (126 MHz) NMR spectra of [1b]Zr(OiPr)2
(2b) in C6D6 at room temperature. Figure S7. The 1H (300 MHz) and 13C{1H} (126 MHz) NMR spectra of [1b]Hf(OiPr)2
(3b) in C6D6 at room temperature. Figure S8. Molecular structure of (2aHOiPr)(MeCN) with thermal ellipsoids drawn at
the 35% probability level, highlighting the intermolecular hydrogen bonding with co-crystallized acetonitrile. All methyl groups except those in N-bound tert-butyl or acetonitrile are omitted for clarity.
Figure S9. Molecular structure of 2aMeCN with thermal ellipsoids drawn at the 35% probability level. All methyl groups except those in N-bound tert-butyl and coordinated acetonitrile are omitted for clarity.
Figure S10. Molecular structure of 2cMeCN with thermal ellipsoids drawn at the 35% probability level. All methyl groups except those in N-bound n-propyl and coordinated acetonitrile are omitted for clarity.
Figure S11. Molecular structure of 3cMeCN with thermal ellipsoids drawn at the 35% probability level. All methyl groups except those in N-bound n-propyl and coordinated acetonitrile are omitted for clarity.
Table S1. Crystal data and structure refinement for [1a]Zr(OiPr)2(HOiPr) (2aHOiPr). Table S2. Crystal data and structure refinement for [1a]Zr(OiPr)2(MeCN) (2aMeCN). Table S3. Crystal data and structure refinement for [1c]Zr(OiPr)2(HOiPr) (2cHOiPr). Table S4. Crystal data and structure refinement for [1c]Zr(OiPr)2(MeCN) (2cMeCN). Table S5. Crystal data and structure refinement for [1c]Hf(OiPr)2(MeCN) (3cMeCN).
Figure S8. Molecular structure of (2aHOiPr)(MeCN) with thermal ellipsoids drawn at the 35% probability level, highlighting the intermolecular hydrogen bonding with co-crystallized acetonitrile. All methyl groups except those in N-bound tert-butyl or acetonitrile are omitted for clarity.
Figure S9. Molecular structure of 2aMeCN with thermal ellipsoids drawn at the 35% probability level. All methyl groups except those in N-bound tert-butyl and coordinated acetonitrile are omitted for clarity.
Figure S10. Molecular structure of 2cMeCN with thermal ellipsoids drawn at the 35% probability level. All methyl groups except those in N-bound n-propyl and coordinated acetonitrile are omitted for clarity.
Figure S11. Molecular structure of 3cMeCN with thermal ellipsoids drawn at the 35% probability level. All methyl groups except those in N-bound n-propyl and coordinated acetonitrile are omitted for clarity.