The Rotational Spectrum of 1-Bromo-3-Fluorobenzene
School Name
South Carolina Governor's School for Science & Mathematics
Grade Level
12th Grade
Presentation Topic
Chemistry
Presentation Type
Mentored
Abstract
The molecule 1-bromo-3-fluorobenzene was analyzed with microwave spectroscopy in order to gain a better understanding of the shape of the molecule for other applications. Microwave spectroscopy works by broadcasting microwave pulses that excite quantized rotational states of a molecule, which then emits the radiation back as the molecule relaxes. These rotational frequencies are measured and compared to what would be expected at possible quantized rotational levels, which are determined by theoretical rotational constants obtained from computational calculations of the molecule. Ab initio calculations were performed with Gaussian software and the B3LYP functional to obtain rotational constants. Experimentally, the molecule was loaded into a heated nozzle to spray the chemical backed with 25% He-75% Ne gas. A chirped microwave pulse was used with a microwave horn to radiate and collect the microwave radiation. The rotational spectrum was obtained from 8-18 GHz. Analysis of the results - in order to determine the rotational constants - is ongoing and is being performed with SPFIT software.
Recommended Citation
Ortiz, Patricio and Buchmaier, Wolfgang, "The Rotational Spectrum of 1-Bromo-3-Fluorobenzene" (2020). South Carolina Junior Academy of Science. 196.
https://scholarexchange.furman.edu/scjas/2020/all/196
Location
Furman Hall 108
Start Date
3-28-2020 1:45 PM
Presentation Format
Oral Only
Group Project
Yes
The Rotational Spectrum of 1-Bromo-3-Fluorobenzene
Furman Hall 108
The molecule 1-bromo-3-fluorobenzene was analyzed with microwave spectroscopy in order to gain a better understanding of the shape of the molecule for other applications. Microwave spectroscopy works by broadcasting microwave pulses that excite quantized rotational states of a molecule, which then emits the radiation back as the molecule relaxes. These rotational frequencies are measured and compared to what would be expected at possible quantized rotational levels, which are determined by theoretical rotational constants obtained from computational calculations of the molecule. Ab initio calculations were performed with Gaussian software and the B3LYP functional to obtain rotational constants. Experimentally, the molecule was loaded into a heated nozzle to spray the chemical backed with 25% He-75% Ne gas. A chirped microwave pulse was used with a microwave horn to radiate and collect the microwave radiation. The rotational spectrum was obtained from 8-18 GHz. Analysis of the results - in order to determine the rotational constants - is ongoing and is being performed with SPFIT software.
