Quantitative analysis of α-CL-20 polymorphic impurity in ε-CL-20 using Dispersive Raman Spectroscopy

• Autorzy: Ghosh M. , Venkatesan V. , Sikder N. , Sikder A. K.
• Języki publikacji: EN

Abstrakty

EN

α-CL-20 polymorphic impurity in ε-CL-20 studies have been carried out using Dispersive Raman Spectroscopy. ε-, β-, α- and γ-CL-20 polymorphs were produced using crystallization methods with sample recovery from the solution being >90%, and chemical purity of about 99%. The polymorphs prepared were characterized using Dispersive Raman Spectroscopy over the Raman shift region of 100-3500 cm-1 using a 514 nm argon ion laser. The experimental studies were supported by ab initio computations performed at B3LYP level using a 6-31+G** basis set. The computed vibrational frequencies of the CL-20 conformers correspond to the ε, β and α or γ-CL-20 polymorphs when compared with the observed frequencies. α-CL-20 shows a distinct feature at 280 cm-1 as compared with those of the ε-CL-20 polymorph. Using Dispersive Raman Spectroscopy, a linear relationship was demonstrated for the absolute peak height and absolute peak area ratio of α-CL-20 versus the weight percent of α-CL-20. This method enables a detection limit of this polymorphic impurity down to 2 wt%.

Słowa kluczowe

EN

CL-20; polymorphs; α-CL-20 impurity; dispersive Raman spectroscopy

• Czasopismo: Central European Journal of Energetic Materials
• Rocznik: 2013
• Tom: Vol. 10, no. 3
• Strony: 419--438
• Opis fizyczny: Bibliogr, 29 poz., rys., tab.

Twórcy

autor

Ghosh M.

• High Energy Materials Research Laboratory, Sutarwadi, Pune-411 021, India

autor

Venkatesan V.

• Research & Innovation Centre, IIT Madras Research Park, Chennai-600 113, India

autor

Sikder N.

• High Energy Materials Research Laboratory, Sutarwadi, Pune-411 021, India

autor

Sikder A. K.

• High Energy Materials Research Laboratory, Sutarwadi, Pune-411 021, India

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