Vibrational Bands of the 2-Butyn-1-yl Radical
Glenna J Brown1, Martha J Ellis1, Thaddeus D Martin1
1Department of Chemistry, Marshall University, 1 John Marshall Drive, Huntington, West Virginia 25755, United States.
Abstract:
The 2-butyn-1-yl radical is an isomer of C4H5 and is structurally similar to the propargyl radical, which is the simplest resonance-stabilized hydrocarbon radical. The C4H5 radical is likely to be important to astrochemistry and combustion, similar to propargyl, yet little research has been done on its spectroscopic properties. In this work, seven vibrational bands of the 2-butyn-1-yl radical are reported. The radical was formed by pyrolysis of 1-bromo-2-butyne at 800 K and isolated in a low-temperature argon matrix. The experimentally observed frequencies and intensities of the seven vibrational bands were found to be consistent with QCISD predictions from the literature and with new B3LYP calculations in this work.
More Related Videos
Related Concept Videos
π Molecular Orbitals of 1,3-Butadiene
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals
UV–Vis Spectroscopy of Conjugated Systems
One of the factors influencing λmax is the extent of conjugation in...
UV–Vis Spectroscopy: Molecular Electronic Transitions
IR and UV–Vis Spectroscopy of Aldehydes and Ketones


