Network


Latest external collaboration on country level. Dive into details by clicking on the dots.

Hotspot


Dive into the research topics where Amanda J. Shirar is active.

Publication


Featured researches published by Amanda J. Shirar.


Journal of Physical Chemistry A | 2010

Impact of molecular conformation on barriers to internal methyl rotation: the rotational spectrum of m-methylbenzaldehyde.

Amanda J. Shirar; David S. Wilcox; Kelly M. Hotopp; Giana L. Storck; Isabelle Kleiner; Brian C. Dian

The ground state spectrum of m-methylbenzaldehyde (m-MBA) was measured with a chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer. The methyl rotor on m-MBA introduces an internal rotation barrier, which leads to splitting of the torsional energy level degeneracy into A and E states. Ab initio calculations predict a low torsional barrier for both the O-cis and O-trans conformers, resulting in a large doublet splitting up to several gigahertz in the frequency spectrum. The rotational constants, distortion terms, and V(3) values for both species have been determined from the ground state rotational spectrum using the BELGI-C(s) fitting program. There are significant differences in the torsional potential for the O-cis and O-trans m-MBA conformers. Molecular orbitals and resonance structures for each conformer are analyzed to understand the difference in torsional barrier height as well as the irregular shape of the O-trans torsional potential.


Journal of Physical Chemistry Letters | 2010

Dissociation Pathways of 2,3-Dihydrofuran Measured by Chirped-Pulse Fourier Transform Microwave Spectroscopy

Chandana Karunatilaka; Amanda J. Shirar; Giana L. Storck; Kelly M. Hotopp; Erin Blaze Biddle; Rickie Crawley; Brian C. Dian


European Journal of Inorganic Chemistry | 2006

Dimerization of Diruthenium Coordination Compounds via Olefin Metathesis

Wei-Zhong Chen; John D. Protasiewicz; Amanda J. Shirar; Tong Ren


Chemical Physics Letters | 2011

Additional conformer observed in the microwave spectrum of methyl vinyl ketone

David S. Wilcox; Amanda J. Shirar; Owen L. Williams; Brian C. Dian


Archive | 2011

THE MICROWAVE SPECTRUM OF METHYL VINYL KETONE REVISITED

David S. Wilcox; Amanda J. Shirar; Owen L. Williams; Brian C. Dian


Archive | 2010

TWO-DIMENSIONAL CHIRPED-PULSE FOURIER TRANSFORM MICROWAVE SPECTROSCOPY: INTRODUCTION TO TWO-DIMENSIONAL BROADBAND TECHNIQUES

Amanda J. Shirar; Kelly M. Hotopp; David S. Wilcox; Brian C. Dian


Archive | 2010

TWO-DIMENSIONAL CHIRPED-PULSE FOURIER TRANSFORM MICROWAVE SPECTROSCOPY: MODELING COHERENCE TRANSFER

David S. Wilcox; Kelly M. Hotopp; Amanda J. Shirar; Brian C. Dian


Archive | 2010

TWO-DIMENSIONAL CHIRPED-PULSE FOURIER TRANSFORM MICROWAVE SPECTROSCOPY: APPLICATIONS TO MULTI-LEVEL SYSTEMS

Kelly M. Hotopp; David S. Wilcox; Amanda J. Shirar; Brian C. Dian


Archive | 2010

ROTATIONAL CONSTANTS FOR M-METHYLBENZALDEHYDE: A STUDY IN LOW BARRIER TORSIONAL SPLITTING

Amanda J. Shirar; Kelly M. Hotopp; David S. Wilcox; Brian C. Dian


Archive | 2008

I. NOVEL APPLICATIONS OF A SHAPE SENSITIVE DETECTOR

Chandana Karunatilaka; Kelly M. Hotopp; Amanda J. Shirar; Giana L. Storck; Brian C. Dian

Collaboration


Dive into the Amanda J. Shirar's collaboration.

Top Co-Authors

Avatar
Top Co-Authors

Avatar
Top Co-Authors

Avatar
Top Co-Authors

Avatar
Top Co-Authors

Avatar

John D. Protasiewicz

Case Western Reserve University

View shared research outputs
Top Co-Authors

Avatar
Top Co-Authors

Avatar
Researchain Logo
Decentralizing Knowledge