Computational Investigation of Isotopic Labeling (Record no. 45305)
[ view plain ]
| 000 -LEADER | |
|---|---|
| fixed length control field | 02317nam a22002057a 4500 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20240117111558.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 240116b ||||| |||| 00| 0 eng d |
| 022 ## - INTERNATIONAL STANDARD SERIAL NUMBER | |
| ISSN | 0021-9584 |
| 100 ## - MAIN ENTRY--AUTHOR NAME | |
| Personal name | Pelter, Michael W. |
| 245 ## - TITLE STATEMENT | |
| Title | Computational Investigation of Isotopic Labeling |
| Remainder of title | : A Pandemic Inspired Activity (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 | 3677–3682p. |
| 440 ## - SERIES STATEMENT/ADDED ENTRY--TITLE | |
| Title | Journal of Chemical Society |
| Volume number/sequential designation | , Volume 100: Number 9, September 2023 |
| 505 ## - FORMATTED CONTENTS NOTE | |
| Formatted contents note | ***______{For Hard Copy, Please visit Library.}________***<br/><br/> |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | Abstract: A cornerstone activity in undergraduate organic laboratories revolves around students running instrumental analysis on their products and interpreting their spectra. They are left to link the theory they have learned in lecture to practical spectral interpretation. Students often memorize benchmark interpretations of peaks, such as the broad alcohol absorbance in infrared spectroscopy (IR). However, students often do not correlate the absorbance frequency to the actual vibrational mode. Given more nuanced spectra to interpret, like the difference between a hydrogen and a deuterium on an alcohol, students often miss the differences between the spectra. The GAMESS computational software package accessed through the Web interface ChemCompute is successfully used by students here to generate IR spectra of different isotopically labeled alcohols. This Web-based portal provides multiple benefits to the students: (1) The computational software is accessible through any browser on most common operating systems (including Chromebooks), (2) generating IR spectra for multiple products allows students to predict differences in spectra to compare to their actual IR data reinforcing prediction in the scientific method, and (3) the software links the differences in isotopes to structural vibrational modes visualized in the software allowing students to link theory to practice in spectral interpretation. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | Organic Chemistry| Inquiry-Based Discovery Learning| Computational Chemistry| IR Spectroscopy| Isotopes |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Pelter, Libbie S. W. | Dinga, Phillip I. | Ernst, Nicholas E. | Schultz, Madison L. |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | https://doi.org/10.1021/acs.jchemed.3c00115 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Periodicals |
| Lost status | Damaged status | Home library | Current library | Date acquired | Koha item type |
|---|---|---|---|---|---|
| RIE BPL Library | RIE BPL Library | 17.01.2024 | Periodicals |