CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUND
Sodium chloride, NaCl, was analyzed using two models based in classical physics with the main objective of verifying whether this ionic crystal is active or not to infrared absorption. The results from the first reduced mass linear diatomic model (RMLDM) which uses the concept of reduced mass, showe...
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Sociedade Brasileira de Química
2025-05-01
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| Series: | Química Nova |
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| _version_ | 1850270714921222144 |
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| author | Jorge Corrêa de Araújo Rosa María García Márquez |
| author_facet | Jorge Corrêa de Araújo Rosa María García Márquez |
| author_sort | Jorge Corrêa de Araújo |
| collection | DOAJ |
| description | Sodium chloride, NaCl, was analyzed using two models based in classical physics with the main objective of verifying whether this ionic crystal is active or not to infrared absorption. The results from the first reduced mass linear diatomic model (RMLDM) which uses the concept of reduced mass, showed that NaCl is inactive in infrared radiation. In contrast, the linear diatomic model (LDM) indicated that from a theoretical point of view there may be a weak or even insignificant absorption in the vibrational bands ν̅ ≅ 1524 and 1421 cm-1 with the amplitudes of these ionic molecular vibrations varying between 5.5 × 10-12 and 9.5 × 10-12 m. Furthermore, the LDM model developed here in this study, combines elementary equations from classical physics with elements from quantum physics enabling to estimate the energy absorption of the NaCl and also the ions sodium and chloride with good accuracy. This model can be applied, in principle, to other diatomic molecules as a good approximation to molecular vibrational. |
| format | Article |
| id | doaj-art-414dbac0bf8940f5bcb39c6e11315cf5 |
| institution | OA Journals |
| issn | 1678-7064 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Sociedade Brasileira de Química |
| record_format | Article |
| series | Química Nova |
| spelling | doaj-art-414dbac0bf8940f5bcb39c6e11315cf52025-08-20T01:52:29ZengSociedade Brasileira de QuímicaQuímica Nova1678-70642025-05-0148510.21577/0100-4042.20250122CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUNDJorge Corrêa de AraújoRosa María García Márquezhttps://orcid.org/0000-0003-3465-569XSodium chloride, NaCl, was analyzed using two models based in classical physics with the main objective of verifying whether this ionic crystal is active or not to infrared absorption. The results from the first reduced mass linear diatomic model (RMLDM) which uses the concept of reduced mass, showed that NaCl is inactive in infrared radiation. In contrast, the linear diatomic model (LDM) indicated that from a theoretical point of view there may be a weak or even insignificant absorption in the vibrational bands ν̅ ≅ 1524 and 1421 cm-1 with the amplitudes of these ionic molecular vibrations varying between 5.5 × 10-12 and 9.5 × 10-12 m. Furthermore, the LDM model developed here in this study, combines elementary equations from classical physics with elements from quantum physics enabling to estimate the energy absorption of the NaCl and also the ions sodium and chloride with good accuracy. This model can be applied, in principle, to other diatomic molecules as a good approximation to molecular vibrational.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422025000500306&lng=en&tlng=ensodium chlorideharmonic oscillatorvibrational spectroscopyinfrared radiation |
| spellingShingle | Jorge Corrêa de Araújo Rosa María García Márquez CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUND Química Nova sodium chloride harmonic oscillator vibrational spectroscopy infrared radiation |
| title | CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUND |
| title_full | CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUND |
| title_fullStr | CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUND |
| title_full_unstemmed | CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUND |
| title_short | CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUND |
| title_sort | classical 1d linear models for infrared absorption and estimates for the vibrational amplitudes and energy of nacl ionic compound |
| topic | sodium chloride harmonic oscillator vibrational spectroscopy infrared radiation |
| url | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422025000500306&lng=en&tlng=en |
| work_keys_str_mv | AT jorgecorreadearaujo classical1dlinearmodelsforinfraredabsorptionandestimatesforthevibrationalamplitudesandenergyofnaclioniccompound AT rosamariagarciamarquez classical1dlinearmodelsforinfraredabsorptionandestimatesforthevibrationalamplitudesandenergyofnaclioniccompound |