Phosgene-free decomposition of dimethylhexane-1,6-dicarbamate over ZnO
- Authors
- Hyun, Min Jeong; Shin, Mi; Kim, Yong Jin; Suh, Young-Woong
- Issue Date
- Jan-2016
- Publisher
- SPRINGER
- Keywords
- Catalytic decomposition; Hexamethylene-1,6-diisocyanate; Dimethylhexane-1,6-dicarbamate; ZnO
- Citation
- RESEARCH ON CHEMICAL INTERMEDIATES, v.42, no.1, pp.57 - 70
- Indexed
- SCIE
SCOPUS
- Journal Title
- RESEARCH ON CHEMICAL INTERMEDIATES
- Volume
- 42
- Number
- 1
- Start Page
- 57
- End Page
- 70
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/155336
- DOI
- 10.1007/s11164-015-2224-x
- ISSN
- 0922-6168
- Abstract
- In catalytic decomposition of dimethylhexane-1,6-dicarbamate (HDC) into hexamethylene-1,6-diisocyanate (HDI), Zn-containing homogeneous (i.e., zinc acetate) and heterogeneous (i.e., ZnO) catalysts were active among a number of catalysts tested, due to the great electron withdrawing ability of Zn ions. Particularly, when polyethylene glycol dimethyl ether was used as a solvent, ZnO was found to be relatively robust, because the catalytic performance was maintained up to the third use (HDC conversion of 93 % and HDI yield of 67 % at 180 A degrees C for 1 h). Through investigation of a HDC/ZnO mixture at elevated temperatures by IR spectroscopy, a possible reaction scheme of ZnO-catalyzed decomposition of HDC was proposed. The H atom is removed from the N-H group of HDC by hydrogen bonding with an O site on the ZnO surface, followed by coordination of an O-C=O group in monodentate mode to a Zn site. The C-O group in the O-C=O linkage is then cleaved yielding the isocyanate and surface methoxide species. Finally, methanol is released from ZnO by a reaction between the surface methoxide and the hydroxyl species.
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