Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Nuclear Binding Energy02:13

Nuclear Binding Energy

The difference between the calculated and experimentally measured masses is known as the mass defect of the atom. In the case of helium-4, the mass defect indicates a “loss” in mass of 4.0331 amu – 4.0026 amu = 0.0305 amu. The loss in mass accompanying the formation of an atom from protons, neutrons, and electrons is due to the conversion of that mass into energy that is evolved as the atom forms. The nuclear binding energy is the energy produced when the atoms’ nucleons are bound together;...
2° Amines to N-Nitrosamines: Reaction with NaNO201:20

2° Amines to N-Nitrosamines: Reaction with NaNO2

Secondary amines react with nitrous acid to form N-nitrosamines, as depicted in Figure 1. Nitrous acid, a weak and unstable acid, is formed in situ from an aqueous solution of sodium nitrite and strong acids, such as hydrochloric acid or sulfuric acid, in cold conditions. In the presence of an acid, the nitrous acid gets protonated. The subsequent loss of water results in the formation of the electrophile known as nitrosonium ion.
Other Nuclides: 31P, 19F, 15N NMR01:16

Other Nuclides: 31P, 19F, 15N NMR

Many organic, inorganic, and biological molecules contain spin-half nuclei such as nitrogen-15, fluorine-19, and phosphorus-31. As a result, NMR studies of these nuclei have found extensive applications in chemical and biological research.
While fluorine-19 and phosphorous-31 have high natural abundances (100%) and positive gyromagnetic ratios, nitrogen-15 has a low natural abundance and a negative gyromagnetic ratio. However, nitrogen-15 is still preferred over nitrogen-14 (which has a high...
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

Overview of Molecular Orbital Theory
Electrophilic Aromatic Substitution: Nitration of Benzene01:20

Electrophilic Aromatic Substitution: Nitration of Benzene

The nitration of benzene is an example of an electrophilic aromatic substitution reaction. It involves the formation of a very powerful electrophile, the nitronium ion, which is linear in shape. The reaction occurs through the interaction of two strong acids, sulfuric and nitric acid.
Exceptions to the Octet Rule02:55

Exceptions to the Octet Rule

Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Structures and Energetics of NI<sub>3</sub> and N<sub>2</sub> I<sub>4</sub>.

Chemphyschem : a European journal of chemical physics and physical chemistry·2019
Same author

Nitro derivatives of triazetidine: potential high energy density materials.

Journal of molecular modeling·2018
Same author

Effect of Ag and Pd promotion on CH<sub>4</sub> selectivity in Fe(100) Fischer-Tröpsch catalysis.

Physical chemistry chemical physics : PCCP·2017
Same author

Synthesis, Electrochemical Characterization, and Linear Free Energy Relationship of 1,3-Diphenyl-6-alkyl/arylfulvenes.

The Journal of organic chemistry·2016
Same author

Quantitative measurement of the solvent accessibility of histidine imidazole groups in proteins.

Biochemistry·2012
Same author

Synthesis of 1,3-diphenyl-6-alkyl/aryl-substituted fulvene chromophores: observation of π-π interactions in a 6-pyrene-substituted 1,3-diphenylfulvene.

The Journal of organic chemistry·2012

Related Experiment Video

Updated: Jun 20, 2026

Preparation and Reactivity of Gasless Nanostructured Energetic Materials
09:50

Preparation and Reactivity of Gasless Nanostructured Energetic Materials

Published on: April 2, 2015

Nitroborazines as potential high energy materials: density functional theoretical calculations.

Jay D Janning1, David W Ball

  • 1Department of Chemistry, Cleveland State University, 2121 Euclid Avenue, Cleveland, OH 44115, USA.

Journal of Molecular Modeling
|September 24, 2009
PubMed
Summary

Researchers explored high-energy density materials by calculating the thermochemical properties of nitro-substituted borazine molecules. Increasing nitro group substitution lowered the energy of combustion per unit mass for these novel compounds.

More Related Videos

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Determining Surface Areas and Pore Volumes of Metal-Organic Frameworks
06:45

Determining Surface Areas and Pore Volumes of Metal-Organic Frameworks

Published on: March 8, 2024

Related Experiment Videos

Last Updated: Jun 20, 2026

Preparation and Reactivity of Gasless Nanostructured Energetic Materials
09:50

Preparation and Reactivity of Gasless Nanostructured Energetic Materials

Published on: April 2, 2015

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Determining Surface Areas and Pore Volumes of Metal-Organic Frameworks
06:45

Determining Surface Areas and Pore Volumes of Metal-Organic Frameworks

Published on: March 8, 2024

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Energetic Materials

Background:

  • High energy density materials are crucial for advanced applications.
  • Borazine derivatives offer a potential scaffold for novel energetic compounds.
  • Understanding thermochemical properties is key to material design.

Purpose of the Study:

  • To computationally investigate the thermochemical properties of nitro-substituted borazine molecules.
  • To assess the potential of these compounds as high energy density materials.
  • To correlate molecular structure with combustion energy.

Main Methods:

  • Density functional theoretical (DFT) calculations were employed.
  • Optimized molecular geometries were determined.
  • Vibrational frequencies, spectra, and enthalpies of formation and combustion were calculated.

Main Results:

  • Thermochemical properties were determined for nitroborazine, dinitroborazine, trinitroborazine, and methyltrinitroborazine.
  • Specific enthalpy of combustion ranged from 4 to 11 kJ/g.
  • Higher nitro group substitution led to decreased combustion energy per unit mass.

Conclusions:

  • Nitro-substituted borazines exhibit a range of combustion enthalpies.
  • The energy density is influenced by the degree and position of nitro substitution.
  • These findings guide the design of new energetic materials based on borazine frameworks.