Figure 9, Figure S18, Figure S19: ROCOP of PA/CHO + IRC

DOI: 10.14469/hpc/281 Metadata

Created: 2016-02-29 17:57

Last modified: 2019-02-05 16:48

Author: Charles ROMAIN

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Co-author: Antoine Buchard
Co-author: Henry Rzepa
Co-author: Paul Dingwall

Description

Potential energy surface for ROCOP of CHO/PA that includes two hidden intermediates between 8PA’-TS and 11PA'

Files

FilenameSizeTypeDescription
PA-CHO 100C.zip 13MB application/zip DFT structure for Figure 9, Figure S18
PA-CHO 100C.mnpub 0 chemical/x-mnpub Mestrenova signature file for PA-CHO 100C.zip
Figure9.png 112KB image/png Figure 9
Figure S18.tif 1MB image/tiff Figure S18
IRC.png 1MB image/png IRC figure
log_88767.log 3MB chemical/x-gaussian-log IRC file

Member of collection / collaboration

DOIDescription
10.14469/hpc/244 Chemo-Selective Polymerizations Using Mixtures of Epoxide, Lactone, Anhydride and CO2

Members

DOIDescription
10.14469/hpc/282 Figure 9, Figure S18
10.14469/hpc/283 IRC 8PA'-TS to 11PA'
10.14469/hpc/286 Figure 9, Figure S18. ROCOP of PA/CHO

Associated DOIs

Current dataset ...DOIDescription
References 10.1021/jacs.5b13070 JACS Article: Chemoselective Polymerizations from Mixtures of Epoxide, Lactone, Anhydride, and Carbon Dioxide

Subject Keywords

KeywordValue
inchi InChI=1S/C26H40N4O2.C16H18O6.C2H4O2.2Zn/c1-25(2)15-27-11-19-7-5-9-21(23(19)31)13-29-17-26(3,4)18-30-14-22-10-6-8-20(24(22)32)12-28-16-25;1-10(17)21-13-8-4-5-9-14(13)22-16(20)12-7-3-2-6-11(12)15(18)19;1-2(3)4;;/h5-10,27-32H,11-18H2,1-4H3;2-3,6-7,13-14H,4-5,8-9H2,1H3,(H,18,19);1H3,(H,3,4);;/q;;;2*+2/p-4/t;13-,14-;;;/m.1.../s1
inchikey Usage: babel [-i<input-type>] <name> [-o<output-type>] <name>
inchikey GGJICVDLQRLVEE-ODQAEMFESA-J

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