# Browse Abstracts & Presentations - 2021 International Symposium on Molecular Spectroscopy by Title

• (International Symposium on Molecular Spectroscopy, 2021-06-22)
In simple cases of methyl group internal rotation, the barrier to internal rotation is equal to the $V_{3}$ coefficient in the standard equation of the potential function. In the past few years, methyl internal rotation ...

application/pdf

PDF (21kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
The molecular planarity of molecules that contain an alkyl group attached to a system with conjugated double bonds has posed a great challenge for both experiments and theory for a long time. This also holds true for the ...

application/pdf

PDF (21kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
Mandelic acid and its derivatives are useful as chiral synthons in the chemical and pharmaceutical industry because of their versatility. Their wide use in organic reactions makes them an important case to study solute-solvent ...

application/pdf

PDF (18kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Carveol, a primary constituent in spearmint and peppermint oil, is a monocyclic monoterpenoid alcohol that is produced in nature by the photooxidation of limonene.$^{1}$ Structurally, carveol contains two chiral centers ...

application/pdf

PDF (17kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Diethyl phthalate (DEPh), a diethyl ester of phthalic acid, is commonly used as a plasticizer in products such as plastic packaging films, toiletries, and plastic bags.$^{1}$ The two ester groups can rotate about the ...

application/pdf

PDF (18kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
At the 74th ISMS, our group showed that it is possible to detect microwave radiation in a CP-FTMW experiment that did not copropagate in the direction of incident radiation. In that talk, it was shown that this could be ...

application/pdf

PDF (15kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Anisole has two prominent hydrogen bonding sites, namely oxygen and the $\pi$-electrons of the phenyl ring. Earlier studies on anisole-water$^{1,2}$ and anisole-methanol$^{3}$ complexes show that in both cases the interaction ...

application/pdf

PDF (21kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
The Great Oxygenation Event, the introduction of O$_{2}$ into the Earth’s atmosphere approximately 2.5 billion years ago, is a critical stage in the development of life on Earth. The exact timing of this event is thought ...

application/pdf

PDF (17kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
A direct potential fit to Hund's case (a) potential curves for the low-lying `supermultiplet' states (${X{}^2\Delta}$, ${{}^2\Pi}$, ${}^2\Sigma^{+}$) of NiH and to R-dependent spin-orbit and rotational coupling functions ...

application/pdf

PDF (24kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
A three dimensional discrete variable representation (DVR) is developed for the general case of a rare gas atom interacting with an asymmetric top molecule and applied to the case of argon-haloethylene heterodimers. The ...

application/pdf

PDF (16kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
Definitive identification of single molecules is a natural limit of analytic chemistry. While single molecule spectroscopy is routinely performed on select classes of molecules, a general method for identifying individual ...

application/pdf

PDF (12kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Badger’s rule originally described a non-linear relationship between the equilibrium bond length and force constant for diatomic molecules. This rule has since become synonymous with many different relationships between ...

application/pdf

PDF (21kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
While previous iterations of laser ablation designs have been attempted at Missouri S\&T, none had the capability to adjust the location of the nozzle in relation to the horn antenna \textit{in situ} without breaking vacuum. ...

application/pdf

PDF (14kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
The CaX family of diatomic molecules illustrates concepts developed by inorganic chemists to rationalize the properties of metal-centered complexes. The basic idea is that an atom or an atomic-ion is surrounded by ligands, ...

application/pdf

PDF (19kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
Microwave spectra for a series of carboxylic acid anhydrides derived from acetic acid, pivalic acid, benzoic acid, and trifluoroacetic acid are reported. All semi-rigid rotor spectra, including those of the A states of ...

application/pdf

PDF (15kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
In preparation for our FTMW study of the complex between hydrogen and silver bromide, H$_{2}$-AgBr, we have investigated the microwave spectra of our source of bromine, dibromodifluoromethane, CBr$_2$F$_{2}$. Previous ...

application/pdf

PDF (18kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
Innovations in cryogenic ion traps greatly enhance our ability to control ion-neutral chemistry and spectroscopically probe ionic species in real time. Currently, our lab studies microsolvated species and reaction ...

application/pdf

PDF (15kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
We introduce a novel and sensitive ns-resolved atomic magnetometer, which is at least three orders of magnitude faster than conventional magnetometers. The magnetic field dependence of hyperfine beating of high-density ...

application/pdf

PDF (15kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
We are building a new-generation mid-infrared spectrometer specifically designed for precision vibrational spectroscopy of cold complex polyatomic molecules in the gas phase. The proposed technology is at the forefront of ...

application/pdf

PDF (16kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
The presently available tools of rotational spectroscopy do not provide a meaningful way to treat small organic radicals with methyl groups. This in turn prevents astrochemical detection of these species as it is not ...

application/pdf

PDF (14kB)