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The Role of Water in Platinum-Catalyzed Cycloisomerization of 1,6-Enynes: A Combined Experimental and Theoretical Gas Phase Study

✍ Scribed by Sigrid Baumgarten; Denis Lesage; Vincent Gandon; Jean-Philippe Goddard; Max Malacria; Jean-Claude Tabet; Yves Gimbert; Louis Fensterbank

Book ID
112018638
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
573 KB
Volume
1
Category
Article
ISSN
1867-3880

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The structures of aand b-HMX were fully optimized and the vibrational frequencies computed at the hybrid DFT B3LYP/6-31G(d, p) level of theory. The DCI mass spectrum of HMX using ammonia (NH 3 ) as a β„’soft∫ ionising gas is reported. Field desorption mass spectrometry (FD) was used because of the hig