INFRARED LASER SPECTROSCOPY AND AB INITIO COMPUTATIONS OF OH···(D2O)N COMPLEXES IN HELIUM NANODROPLETS

2015 ◽  
Author(s):  
Joseph Brice ◽  
Gustavo Pino ◽  
Federico Hernandez ◽  
Gary Douberly ◽  
Christopher Moradi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Laser Spectroscopy ◽  
Infrared Laser ◽  
Helium Nanodroplets ◽  
Infrared Laser Spectroscopy ◽  
Ab Initio Computations

Multiple tautomers of cytosine identified and characterized by infrared laser spectroscopy in helium nanodroplets: probing structure using vibrational transition moment angles

2004 ◽  
Vol 363 (1827) ◽  
pp. 393-413 ◽  
Author(s):  
M. Y. Choi ◽  
F. Dong ◽  
R. E. Miller
Keyword(s):  
Ab Initio ◽  
Laser Spectroscopy ◽  
Infrared Laser ◽  
Transition Moment ◽  
Vibrational Transition ◽  
Helium Nanodroplets ◽  
Infrared Laser Spectroscopy ◽  
Vibrational Bands

Infrared laser spectroscopy in helium nanodroplets is used to identify and characterize several distinct tautomers of cytosine. The experimentally observed species correspond to the lowest–energy structures obtained from ab initio calculations, also reported here. The assignment of the infrared vibrational bands in the spectra is aided by the measurement of the corresponding vibrational transition moment angles, which are also calculated using ab initio methods. In the present study we confirm the existence of three primary tautomers and provide tentative assignments for even higher–energy forms of cytosine in helium nanodroplets.

Broadband transient infrared laser spectroscopy of trifluorovinyl radical C2F3.cntdot.: experimental and ab initio results

1991 ◽  
Vol 95 (7) ◽  
pp. 2932-2937 ◽  
Author(s):  
Brent E. Wurfel ◽  
Nick Pugliano ◽  
Stephen E. Bradforth ◽  
Richard J. Saykally ◽  
George C. Pimentel
Keyword(s):  
Ab Initio ◽  
Laser Spectroscopy ◽  
Infrared Laser ◽  
Infrared Laser Spectroscopy
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