Abstract
5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO), is an insensitive energetic material. It is one of the most studied nitrotriazole type explosives. In the present study, a set of NTO molecules subjected to 15N exchange one at a time have been investigated in terms of energies within the realm of density functional theory at the level of B3LYP/6-311++G(d,p). The effect of isotopic exchanged type perturbation on the infra red frequencies and intensities have been searched. Also, the lactam/lactim tautomerism involving NTO and its 15N exchanged derivatives are studied and discussed.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
