A rotational spectroscopic and ab initio study of cis and trans (-)-carveol: Further insights into conformational dynamics in monoterpenes and monoterpenoids

2021 ◽  
Author(s):  
Arsh Singh Hazrah ◽  
Mohamad al-Jabiri ◽  
Raiden Speelman ◽  
Wolfgang Jaeger
Keyword(s):  
Fourier Transform ◽  
Ab Initio ◽  
Conformational Dynamics ◽  
Ab Initio Study ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
Microwave Spectrometer ◽  
Cis And Trans

Broadband rotational spectra of cis- and trans- (-) carveol were recorded using a chirped pulse Fourier transform microwave spectrometer in the 2-6 GHz region. To aid in spectroscopic assignments a...

Atomic charges and charge fluxes in cis and trans-C2H2X2 (X=F, Cl): an ab initio study

1991 ◽  
Vol 248 (3-4) ◽  
pp. 281-288 ◽  
Author(s):  
M.N. Ramos ◽  
R. Fausto ◽  
J.J.C. Teixeira-Dias ◽  
C. Castiglioni ◽  
M. Gussoni ◽  
...  
Keyword(s):  
Ab Initio ◽  
Atomic Charges ◽  
Ab Initio Study ◽  
Cis And Trans ◽  
In Cis

scholarly journals Rotational spectra of van der Waals complexes: pyrrole–Ne and pyrrole–Ne2

2020 ◽  
Vol 22 (44) ◽  
pp. 25652-25660 ◽  
Author(s):  
Isabel Peña ◽  
Carlos Cabezas
Keyword(s):  
Fourier Transform ◽  
Van Der Waals ◽  
Microwave Spectroscopy ◽  
Frequency Region ◽  
Van Der Waals Complexes ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
Fourier Transform Microwave Spectroscopy

Rotational spectra of van der Waals complexes pyrrole–Ne and pyrrole–Ne2 have been investigated by chirped pulse Fourier transform microwave spectroscopy in the 2–8 GHz frequency region.

scholarly journals Generation and structural characterization of Ge carbides GeCn (n = 4, 5, 6) by laser ablation, broadband rotational spectroscopy, and quantum chemistry

2019 ◽  
Vol 21 (35) ◽  
pp. 18911-18919
Author(s):  
Kin Long Kelvin Lee ◽  
Sven Thorwirth ◽  
Marie-Aline Martin-Drumel ◽  
Michael C. McCarthy
Keyword(s):  
Fourier Transform ◽  
Laser Ablation ◽  
Structural Characterization ◽  
Quantum Chemical ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
High Level

Rotational spectra of three Ge carbides, linear GeC4, GeC5, and GeC6 have been observed using chirped pulse and cavity Fourier transform microwave spectroscopy via laser ablation, guided by new high-level quantum chemical calculations.

scholarly journals Pure Rotational Spectrum of Benzophenone Detected by Broadband Microwave Spectrometer in the 2–8 GHz Range

2020 ◽  
Vol 10 (23) ◽  
pp. 8471
Author(s):  
Haoyang Tan ◽  
Miaoling Yang ◽  
Chenbo Huang ◽  
Shengwen Duan ◽  
Ming Sun ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Data Fitting ◽  
Microwave Spectrum ◽  
Rotational Spectrum ◽  
Rotational Constants ◽  
Microwave Region ◽  
Chirped Pulse ◽  
Microwave Spectrometer ◽  
Frequency Coverage ◽  
Microwave Data

The investigation on microwave spectrum of benzophenone was conducted with a recently constructed broadband chirped-pulse Fourier transform microwave spectrometer with a heating nozzle in the 2–8 GHz range. In this work, 138 b-type pure rotational transitions were assigned to bridge the measuring gap in the microwave region. The rotational constants for benzophenone were accurately determined by a combined microwave data fitting with frequency coverage between 2–14 GHz and have the following values: A = 1692.8892190(119) MHz, B = 412.6446602(43) MHz and C = 353.8745644(43) MHz.

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