Franck–Condon Factors in Electronic Excitations from the Ground and Excited Vibrational States Are Different (Journal Article) (Record no. 44629)
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| fixed length control field | 01922nam a22002057a 4500 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20231027123751.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 231027b ||||| |||| 00| 0 eng d |
| 022 ## - INTERNATIONAL STANDARD SERIAL NUMBER | |
| ISSN | 0021-9584 |
| 100 ## - MAIN ENTRY--AUTHOR NAME | |
| Personal name | Bicer, Omer Faruk |
| 245 ## - TITLE STATEMENT | |
| Title | Franck–Condon Factors in Electronic Excitations from the Ground and Excited Vibrational States Are Different (Journal Article) |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication | Washington DC |
| Name of publisher | :American Chemical Society |
| Year of publication | ,2023 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Number of Pages | 2423-2429p. |
| 440 ## - SERIES STATEMENT/ADDED ENTRY--TITLE | |
| Title | Journal of Chemical Society |
| Volume number/sequential designation | , Volume 100: Number 6, June 2023 |
| 505 ## - FORMATTED CONTENTS NOTE | |
| Formatted contents note | ***______{For Hard Copy, Please visit Library.}________*** |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | Abstract: Vibrational fine structure observed in the published He–I UV photoelectron spectra of H2 and N2 molecules recorded at room temperature and under microwave excitation or at 700 °C have been reexamined and compared with calculations of the Franck–Condon factors (FCFs) using simple harmonic oscillator wave functions and/or those obtained using Morse potentials. In general, FCFs are used to explain vibronic transitions of molecules observed in the UV–vis and photoelectron spectra of diatomic and polyatomic molecules, which can be computed using differing levels of complexity. We advocate constructing the vibrational wave functions numerically, rather than analytically, with the help of a program such as Excel, Origin, or Python. In this way students can also verify the normalization and orthogonality of the wave functions using numerical integration routes provided within these programs. Special attention is drawn to possible deviations of the FCFs of the vibrationally excited molecules from those of the ground states. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | Electronic Spectroscopy | Vibrational Fine Structure | Franck−Condon Factors| Hot Bands |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Lomlu, Rana | Katmer, Fatmagul | Süzer, Sefik |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | https://pubs.acs.org/doi/10.1021/acs.jchemed.3c00049 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Periodicals |
| Lost status | Damaged status | Home library | Current library | Date acquired | Koha item type |
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| RIE BPL Library | RIE BPL Library | 27.10.2023 | Periodicals |