Special Issue "Molecular Structure of Macroheterocyclic Compounds"
Deadline for manuscript submissions: 30 January 2024 | Viewed by 2004
Interests: DFT; sublimation enthalpies; molecular and electronic structure; mass spectrometry; gas electron diffraction
Interests: molecular structure; intramolecular dynamics; thermodynamics, IR spectra; gas-phase electron diffraction; mass spectrometry; DFT and ab initio calculations
Special Issues, Collections and Topics in MDPI journals
Special Issue in International Journal of Molecular Sciences: Coordination Compounds of Metals with Organic Ligands: Synthesis, Geometric and Electronic Structure, Spectra, Reactivity, Applications
Special Issue in International Journal of Molecular Sciences: Molecular Structure, Electronic and Vibrational Spectra Theoretical Calculations in Materials Sciences 2.0
The design of new analogues of porphyrins and porphyrazines with various structures of the coordination center and periphery of the macrocycle, and the determination of their physico-chemical properties are perspective areas in the chemistry of the macrocyclic compounds. The modification of the coordination cavity size, as well as the type and number of central atoms, makes it possible to control the specific physico-chemical properties. The practical application of macroheterocyclic compounds in new areas, such as nonlinear optics, semiconductor and liquid crystal materials, sensor devices, oncology, etc., requires the expansion of their molecular architecture and methods of its construction. Moreover, it is necessary to increase the number of studies devoted to the determination of the relationship between the geometric and electronic structure of molecules and its reactivity under various external conditions as a basis in the development of new materials for the implementation of aimed processes.
We are pleased to invite you to present your works in this Special Issue, which considers experimental and calculated data on the structure of macroheterocyclic compounds.
Dr. Yuriy A. Zhabanov
Prof. Dr. Georgiy V. Girichev
Manuscript Submission Information
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- molecular structure
- electronic structure
- ab initio