Title

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.

Location

Furman Hall 108

Start Date

3-28-2020 1:45 PM

Presentation Format

Oral Only

Group Project

Yes

COinS
 
Mar 28th, 1:45 PM

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.