Search engine for discovering works of Art, research articles, and books related to Art and Culture
Javascript must be enabled to continue!
Synthesis, Crystal Structure and Theoretical Study of Tetranitrodiazidoacetylhexaazaisowurtzitane (TNDAIW)
View through CrossRef
AbstractA novel polycyclic caged compound, tetranitrodiazidoacetylhexaazaisowurtzitane (TNDAIW), has been synthesized by a six‐step reaction. The molecular structures of two key intermediates and TNDAIW were identified. The crystal structure of the titled compound was established by X‐ray crystallography. Semi‐empirical MO calculations were performed with AM1 and PM3 methods based on the crystal structure. The corresponding data of β‐CL‐20 are also given for comparison.
Title: Synthesis, Crystal Structure and Theoretical Study of Tetranitrodiazidoacetylhexaazaisowurtzitane (TNDAIW)
Description:
AbstractA novel polycyclic caged compound, tetranitrodiazidoacetylhexaazaisowurtzitane (TNDAIW), has been synthesized by a six‐step reaction.
The molecular structures of two key intermediates and TNDAIW were identified.
The crystal structure of the titled compound was established by X‐ray crystallography.
Semi‐empirical MO calculations were performed with AM1 and PM3 methods based on the crystal structure.
The corresponding data of β‐CL‐20 are also given for comparison.
Related Results
Two-dimensional function photonic crystal
Two-dimensional function photonic crystal
Photonic crystal is a kind of periodic optical nanostructure consisting of two or more materials with different dielectric constants, which has attracted great deal of attention be...
Magnetically Oriented Powder Crystal to Indexing and Structure Determination
Magnetically Oriented Powder Crystal to Indexing and Structure Determination
In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for t...
An experimental study of melt migration in crystal-rich mushes
An experimental study of melt migration in crystal-rich mushes
<p>Increasingly, volcanologists model mature volcanic systems as being fed by stratified magma reservoirs, that is, small lenses of eruptible magma suspended within a...
The Structure and Crystallization Process of Amorphous Iron Nanoparticles
The Structure and Crystallization Process of Amorphous Iron Nanoparticles
This paper studies the crystallization process and structure of amorphous iron nanoparticles by molecular dynamics method. The study shows that amorphous iron nanoparticles could n...
Outline of a crystal structure determination
Outline of a crystal structure determination
The stages in a crystal structure analysis by diffraction methods are summarized in Figure 14.1 for a substance with fewer than about 1000 atoms. The principal steps are: (1) First...
Variable focus crystal diffraction lens
Variable focus crystal diffraction lens
A new method has been developed to control the shape of the surface of a diffracting crystal that will allow it to function as a variable focus crystal diffraction lens for focusin...
Impact of Crystal Parameters in XRD and DFT Measurements
Impact of Crystal Parameters in XRD and DFT Measurements
The Zwitterionic property of aminoacids give molecular crystal formation through homodesmotic reaction with smaller organic molecules which can undergo hydrogen bonding interaction...
Mechanical Properties Improvement of Dexibuprofen through Dexibuprofen-Caffeine Co-crystal Formation by Ultrasound assisted Solution Co-crystallization Method
Mechanical Properties Improvement of Dexibuprofen through Dexibuprofen-Caffeine Co-crystal Formation by Ultrasound assisted Solution Co-crystallization Method
The ability of an active pharmaceutical ingredient to be compressed is directly affected by its mechanical properties, such as flowability and tabletability. Dexibuprofen (DXI) wit...