MOGADOC DATABASE
MOGADOC is a unique database for precise molecular structures in the gas-phase.
When a number of specialized chemistry databases were established in Germany in the beginning of the 1980s, Dr. Barbara Mez-Starck decided also to present electronically her collected information on molecular studies in the gas-phase: she named the special database MOGADOC according to Molecular Gas-Phase Documentation. After the initial funding by the Federal Government of Germany the maintenance, expansion, and the further development of the HTML-based database have been financed by the foundation.
In the meantime (January 2021) the structural-chemical and molecular-physical special database has grown to 12,500 inorganic, organic, and organometallic compounds. The information have been compiled worldwide from 46,400 publications in the following fields:
- gas-phase electron diffraction since 1930
- microwave spectroscopy since 1945
- molecular radio astronomy since 1969
Structural Retrievals
Substances can be also retrieved graphically via structural formulas by means of a structure editor.
3D-Visualzations
MOGADOC presents over 10,800 numerical datasets with bond distances, bond angles, and dihedral angles. By means of a viewer the molecular models can be interactively visualized in three dimensions.
Further Features
The special literature can be easily retrieved by means of controlled keywords for example for rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants, electric dipole moments, as well as magnetic and molecular-dynamical parameters (such as potential barriers for the hindered rotation).
Retrieval features are described in details in the following publications.
References:
1. A. Lohr, B. Mez-Starck, H. G. Schirdewahn und D. G. Watson: „MOGADOC - An Interactive Computerized Search/Retrieval System“, J. Mol. Struct. 97 (1983) 57-60.
2. J. Vogt: „A Personal Computer Database on Structural, Electric, Magnetic and Dynamical Properties of Gasphase Molecules“ Proc. SPIE 1811 (1991) 376-377.
3. J. Vogt: „MOGADOC - A Personal Computer Database for Atmospheric and Interstellar Molecules in Microwave Spectroscopy and Radio Astronomy“
Rev. Mex. Astron. Astrofis. 23 (1992) 119-125.
4. J. Vogt: „MOGADOC: A Bibliographic Numerical Resource for Gasphase Molecular Spectroscopy and Structure“ J. Mol. Spectrosc. 155 (1992) 413-416.
5. J. Vogt: „Structural Chemical Database for Gasphase Compounds“ Struct. Chem. 3 (1992) 147-153.
6. J. Vogt: „Structural Chemical and Molecular Physical Database for Gasphase Compounds“ Acta Chim. Hung. Mod. Chem. 129 (1992) 333-346.
7. J. Vogt, N. Vogt und W. Hutter: „The MOGADOC Database - Easy and Comprehensive Access to Literature of Both Laboratory and Astronomical Research“ in „Laboratory
and Astronomical High Resulotion Spectra“, Astronomical Society of the Pacific, San Francisco, 81 (1995) 613-614.
8. B. Mez-Starck, J. Vogt, N. Vogt und W. Hutter: „MOGADOC - A Powerful Database for Atmospheric Spectroscopists and Radioastronomers“ Proceedings of Atmospheric
Spectroscopy Applications, Reims, 1996, 281-284.
9. J. Vogt, B. Mez-Starck, N. Vogt und W. Hutter: „MOGADOC - A Database for Gasphase Molecular Spectroscoy and Structure“ J. Mol. Struct. 485/486 (1999) 249-254.
10. Vogt and N. Vogt: „Statistical Tools of the MOGADOC Database“ Struct. Chem. 14 (2003) 137-141
11. J. Vogt, N. Vogt, and R. Kramer: „Visualization and Substructure Retrieval Tools in the MOGADOC Database“ J. Chem. Inform. Comput. Sci. 43 (2003) 357-361
12. J. Vogt, N. Vogt, and A. Schunk: „Inorganic Databases“ in „Handbook of Chemoinformatics“ (Edited by J. Gasteiger), Wiley-VCH, Weinheim, 2003, Vol. 2, 629-643
13. J. Vogt and N. Vogt: „Structure Searching in the MOGADOC Database“ J. Mol. Struct. 695 (2004) 237-241
14. N. Vogt, E. Popov, R. Rudert, R. Kramer, and N. Vogt: „3D Visualization of Molecular Structures in the MOGADOC Database“ J. Mol. Struct. 978 (2010) 201-204
15. J. Vogt and N. Vogt: „3D Visualization of Molecular Structures in the MOGADOC Database“ J. Mol. Struct. 978 (2010) 201-204
16. J. Vogt, N. Vogt, R. Rudert, E. Popov, S. Schlagenhauf, K. Deutzmann, and R. Kramer: „New Features in the MOGADOC Database“ Struct. Chem. 26 (2015) 1725-1727