Using the Extended-Rydberg Function to Study Some of Spectral Properties of Some Molecules
In this work, (Extended-Rydberg function) has been used to determine the values of the energy and the form of the energy curve and some Spectral characteristics of some Germanium-Tetrahalides (GeBr4 and GeI4) by depending on dissociation energy, bond length at equilibrium and by changing bond length...
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| Format: | Article |
| Language: | English |
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University of Anbar
2017-10-01
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| Series: | مجلة جامعة الانبار للعلوم الصرفة |
| Subjects: | |
| Online Access: | https://juaps.uoanbar.edu.iq/article_132441_81912ca94f275d122b909b1f38ed8b35.pdf |
| _version_ | 1797373202961268736 |
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| author | Adil N. Ayyash |
| author_facet | Adil N. Ayyash |
| author_sort | Adil N. Ayyash |
| collection | DOAJ |
| description | In this work, (Extended-Rydberg function) has been used to determine the values of the energy and the form of the energy curve and some Spectral characteristics of some Germanium-Tetrahalides (GeBr4 and GeI4) by depending on dissociation energy, bond length at equilibrium and by changing bond lengths between (Ge-Br), (Ge-I). Our calculation has been done using semi-empirical quantum programs (PC Model, Winmopac7.21, and Hyperchem ) with MNDO/PM3 method which takes a short period of time comparing with (ab-initio). The spectral properties as modes, vibration frequencies, intensities and Symmetry have been calculated for each mode at equilibrium. Also, the total energy, dipole moment, zero point energy and molecular weight have been calculated by Winmopac 7.21 program. Also, HOMO energy, LUMO energy, ionization potential and electron affinity have been determined in the results. |
| first_indexed | 2024-03-08T18:46:57Z |
| format | Article |
| id | doaj.art-6a65e263aee044adaf25dd5c39cb5e2a |
| institution | Directory Open Access Journal |
| issn | 1991-8941 2706-6703 |
| language | English |
| last_indexed | 2024-03-08T18:46:57Z |
| publishDate | 2017-10-01 |
| publisher | University of Anbar |
| record_format | Article |
| series | مجلة جامعة الانبار للعلوم الصرفة |
| spelling | doaj.art-6a65e263aee044adaf25dd5c39cb5e2a2023-12-28T21:58:19ZengUniversity of Anbarمجلة جامعة الانبار للعلوم الصرفة1991-89412706-67032017-10-01101485710.37652/juaps.2016.132441132441Using the Extended-Rydberg Function to Study Some of Spectral Properties of Some MoleculesAdil N. Ayyash0University of Anbar- College of ScienceIn this work, (Extended-Rydberg function) has been used to determine the values of the energy and the form of the energy curve and some Spectral characteristics of some Germanium-Tetrahalides (GeBr4 and GeI4) by depending on dissociation energy, bond length at equilibrium and by changing bond lengths between (Ge-Br), (Ge-I). Our calculation has been done using semi-empirical quantum programs (PC Model, Winmopac7.21, and Hyperchem ) with MNDO/PM3 method which takes a short period of time comparing with (ab-initio). The spectral properties as modes, vibration frequencies, intensities and Symmetry have been calculated for each mode at equilibrium. Also, the total energy, dipole moment, zero point energy and molecular weight have been calculated by Winmopac 7.21 program. Also, HOMO energy, LUMO energy, ionization potential and electron affinity have been determined in the results.https://juaps.uoanbar.edu.iq/article_132441_81912ca94f275d122b909b1f38ed8b35.pdfextendedrydbergspectral propertiesgermanium tetrahalides |
| spellingShingle | Adil N. Ayyash Using the Extended-Rydberg Function to Study Some of Spectral Properties of Some Molecules مجلة جامعة الانبار للعلوم الصرفة extended rydberg spectral properties germanium tetrahalides |
| title | Using the Extended-Rydberg Function to Study Some of Spectral Properties of Some Molecules |
| title_full | Using the Extended-Rydberg Function to Study Some of Spectral Properties of Some Molecules |
| title_fullStr | Using the Extended-Rydberg Function to Study Some of Spectral Properties of Some Molecules |
| title_full_unstemmed | Using the Extended-Rydberg Function to Study Some of Spectral Properties of Some Molecules |
| title_short | Using the Extended-Rydberg Function to Study Some of Spectral Properties of Some Molecules |
| title_sort | using the extended rydberg function to study some of spectral properties of some molecules |
| topic | extended rydberg spectral properties germanium tetrahalides |
| url | https://juaps.uoanbar.edu.iq/article_132441_81912ca94f275d122b909b1f38ed8b35.pdf |
| work_keys_str_mv | AT adilnayyash usingtheextendedrydbergfunctiontostudysomeofspectralpropertiesofsomemolecules |