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Full-Text Articles in Physical Sciences and Mathematics
Optical-Optical Double Resonance, Laser Induced Fluorescence, And Revision Of The Signs Of The Spin-Spin Constants Of The Boron Carbide (Bc) Free Radical, Fumie X. Sunahori, Ramya Nagarajan, Dennis J. Clouthier
Optical-Optical Double Resonance, Laser Induced Fluorescence, And Revision Of The Signs Of The Spin-Spin Constants Of The Boron Carbide (Bc) Free Radical, Fumie X. Sunahori, Ramya Nagarajan, Dennis J. Clouthier
Chemistry Faculty Publications
The cold boroncarbide free radical (BC X 4Σ−) has been produced in a pulsed discharge free jet expansion using a precursor mixture of trimethylborane in high pressure argon. High resolution laser induced fluorescencespectra have been obtained for the B 4Σ−–X 4Σ− and E 4Π–X 4Σ− band systems of both 11BC and 10BC. An optical-optical double resonance (OODR) scheme was implemented to study the finer details of both band systems. This involved pumping a single rotational level of the B state with one laser and then …
Applied Quantum Chemistry: Spectroscopic Detection And Characterization Of The F2Bs And Cl2Bs Free Radicals In The Gas Phase, Bing Jin, Phillip M. Sheridan, Dennis J. Clouthier
Applied Quantum Chemistry: Spectroscopic Detection And Characterization Of The F2Bs And Cl2Bs Free Radicals In The Gas Phase, Bing Jin, Phillip M. Sheridan, Dennis J. Clouthier
Chemistry Faculty Publications
In this and previous work [D. J. Clouthier, J. Chem. Phys. 141, 244309 (2014)], the spectroscopic signatures of the X2BY (X = H, halogen, Y = O, S) free radicals have been predicted using high level ab initio theory. The theoretical results have been used to calculate the electronic absorption and single vibronic level (SVL) emission spectra of the radicals under typical jet-cooled conditions. Using these diagnostic predictions, the previously unknown F2BS and Cl2BS free radicals have been identified and characterized. The radicals were prepared in a free jet expansion by subjecting precursor …
In Search Of The X2Bo And X2Bs (X = H, F) Free Radicals: Ab Initio Studies Of Their Spectroscopic Signatures, Dennis J. Clouthier
In Search Of The X2Bo And X2Bs (X = H, F) Free Radicals: Ab Initio Studies Of Their Spectroscopic Signatures, Dennis J. Clouthier
Chemistry Faculty Publications
The F2BO free radical is a known, although little studied, species but similar X2BY (X = H, D, F; Y = O, S) molecules are largely unknown. High level ab initio methods have been used to predict the molecular structures, vibrational frequencies (in cm-1), and relative energies of the ground and first two excited electronic states of these free radicals, as an aid to their eventual spectroscopic identification. The chosen theoretical methods and basis sets were tested on F2BO and found to give good agreement with the known experimental quantities. In particular, …