Material Information |
| Title: |
The Microwave Spectroscopy of Small Molecules with Methyl Rotors |
| Physical Description: |
Book |
| Language: |
English |
| Creator: |
Finneran, Ian |
| Publisher: |
New College of Florida |
| Place of Publication: |
Sarasota, Fla. |
| Creation Date: |
2011 |
| Publication Date: |
2011 |
Subjects |
| Subjects / Keywords: |
Microwave Spectroscopy
Methyl Rotors
Chirped-Pulse
Physical Chemistry |
| Genre: |
bibliography ( marcgt )
theses ( marcgt )
government publication (state, provincial, terriorial, dependent) ( marcgt )
born-digital ( sobekcm )
Electronic Thesis or Dissertation |
Notes |
| Abstract: |
The microwave spectra of three molecules with methyl rotors, 2-methylfuran, o-fluorotoluene, and anisole, were collected between 8.7-18.3 GHz using a waveguide chirped-pulse Fourier-transform microwave spectrometer at 273 K, 298 K, and 323 K. The splittings due to the methyl torsion were used to calculate the barrier height to internal rotation of the methyl rotor in 2-methylfuran (411 cm-1) and o-fluorotoluene (238 cm-1), and these values were compared to the values predicted by ab initio (B3LYP/6-311+G(d,p) model chemistry) calculations (369 cm-1 and 205 cm-1, respectively). One torsionally excited state was fit in 2-methylfuran, and two were fit in o-fluorotoluene. No splittings were observed in the spectrum of anisole, which indicates that the barrier height is at least 1100 cm-1. The development of a Python brute force automated spectral fitting program and an Arduino-based pressure controller are also discussed. |
| Statement of Responsibility: |
by Ian Finneran |
| Thesis: |
Thesis (B.A.) -- New College of Florida, 2011 |
| Electronic Access: |
RESTRICTED TO NCF STUDENTS, STAFF, FACULTY, AND ON-CAMPUS USE |
| Bibliography: |
Includes bibliographical references. |
| Source of Description: |
This bibliographic record is available under the Creative Commons CC0 public domain dedication. The New College of Florida, as creator of this bibliographic record, has waived all rights to it worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law. |
| Local: |
Faculty Sponsor: Shipman, Steven |
Record Information |
| Source Institution: |
New College of Florida |
| Holding Location: |
New College of Florida |
| Rights Management: |
Applicable rights reserved. |
| Classification: |
local - S.T. 2011 F5 |
| System ID: |
NCFE004499:00001 |
|
Material Information |
| Title: |
The Microwave Spectroscopy of Small Molecules with Methyl Rotors |
| Physical Description: |
Book |
| Language: |
English |
| Creator: |
Finneran, Ian |
| Publisher: |
New College of Florida |
| Place of Publication: |
Sarasota, Fla. |
| Creation Date: |
2011 |
| Publication Date: |
2011 |
Subjects |
| Subjects / Keywords: |
Microwave Spectroscopy
Methyl Rotors
Chirped-Pulse
Physical Chemistry |
| Genre: |
bibliography ( marcgt )
theses ( marcgt )
government publication (state, provincial, terriorial, dependent) ( marcgt )
born-digital ( sobekcm )
Electronic Thesis or Dissertation |
Notes |
| Abstract: |
The microwave spectra of three molecules with methyl rotors, 2-methylfuran, o-fluorotoluene, and anisole, were collected between 8.7-18.3 GHz using a waveguide chirped-pulse Fourier-transform microwave spectrometer at 273 K, 298 K, and 323 K. The splittings due to the methyl torsion were used to calculate the barrier height to internal rotation of the methyl rotor in 2-methylfuran (411 cm-1) and o-fluorotoluene (238 cm-1), and these values were compared to the values predicted by ab initio (B3LYP/6-311+G(d,p) model chemistry) calculations (369 cm-1 and 205 cm-1, respectively). One torsionally excited state was fit in 2-methylfuran, and two were fit in o-fluorotoluene. No splittings were observed in the spectrum of anisole, which indicates that the barrier height is at least 1100 cm-1. The development of a Python brute force automated spectral fitting program and an Arduino-based pressure controller are also discussed. |
| Statement of Responsibility: |
by Ian Finneran |
| Thesis: |
Thesis (B.A.) -- New College of Florida, 2011 |
| Electronic Access: |
RESTRICTED TO NCF STUDENTS, STAFF, FACULTY, AND ON-CAMPUS USE |
| Bibliography: |
Includes bibliographical references. |
| Source of Description: |
This bibliographic record is available under the Creative Commons CC0 public domain dedication. The New College of Florida, as creator of this bibliographic record, has waived all rights to it worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law. |
| Local: |
Faculty Sponsor: Shipman, Steven |
Record Information |
| Source Institution: |
New College of Florida |
| Holding Location: |
New College of Florida |
| Rights Management: |
Applicable rights reserved. |
| Classification: |
local - S.T. 2011 F5 |
| System ID: |
NCFE004499:00001 |
|