scholarly journals Broadband rotational spectroscopy of trans 3-pentenenitrile and 4-pentenenitrile

2019 ◽  
Vol 21 (42) ◽  
pp. 23651-23662
Author(s):  
Piyush Mishra ◽  
Sean M. Fritz ◽  
Brian M. Hays ◽  
Deepali N. Mehta-Hurt ◽  
Khadija M. Jawad ◽  
...  
Keyword(s):  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Conformational Preferences

Understanding conformational preferences of 3- and 4-pentenenitriles via broadband microwave spectroscopy.

Disentangling the complex network of non-covalent interactions in fenchone hydrates via rotational spectroscopy and quantum chemistry

2021 ◽  
Author(s):  
Mhamad Chrayteh ◽  
Ecaterina Burevschi ◽  
Donatella Loru ◽  
Therese R. Huet ◽  
Pascal Dréan ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Computational Chemistry ◽  
Complex Network ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Non Covalent Interactions ◽  
First Time ◽  
Covalent Interactions

The hydrates of the monoterpenoid fenchone (C10H16O).(H2O)n (n=1,2,3) were investigated both by computational chemistry and microwave spectroscopy. Two monohydrates, three dihydrates and for the first time three trihydrates have been...

scholarly journals Microsolvated complexes of ibuprofen as revealed by high-resolution rotational spectroscopy

2018 ◽  
Vol 20 (23) ◽  
pp. 15635-15640 ◽  
Author(s):  
P. Pinacho ◽  
A. Krin ◽  
C. Pérez ◽  
S. Zinn ◽  
J. C. López ◽  
...  
Keyword(s):  
High Resolution ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy

Four conformers of microsolvated ibuprofen have been characterized using high-resolution microwave spectroscopy.

Methane as Carrier Gas for Molecular Beam Microwave Spectroscopy to Observe Transitions of Higher Rotational Energy Levels

1996 ◽  
Vol 51 (10-11) ◽  
pp. 1091-1095 ◽  
Author(s):  
F. Lorenzo ◽  
J.-U. Grabow ◽  
H. Dreizler
Keyword(s):  
Molecular Beam ◽  
Energy Levels ◽  
Rotational Energy ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Rare Gases ◽  
Carrier Gas

Abstract We report on an observation in molecular beam rotational spectroscopy: using Methane rather than rare gases as carrier extends the range of observable transitions towards levels of higher rotational energy.

scholarly journals Gas phase complexes of H3N⋯CuF and H3N⋯CuI studied by rotational spectroscopy and ab initio calculations: the effect of X (X = F, Cl, Br, I) in OC⋯CuX and H3N⋯CuX

2016 ◽  
Vol 18 (19) ◽  
pp. 13638-13645 ◽  
Author(s):  
Dror M. Bittner ◽  
Susanna L. Stephens ◽  
Daniel P. Zaleski ◽  
David P. Tew ◽  
Nicholas R. Walker ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy

Complexes of H3N⋯CuF and H3N⋯CuI have been synthesised in the gas phase and characterized by microwave spectroscopy.

scholarly journals Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding

2015 ◽  
Vol 17 (31) ◽  
pp. 20274-20280 ◽  
Author(s):  
Carlos Cabezas ◽  
Martinus A. T. Robben ◽  
Anouk M. Rijs ◽  
Isabel Peña ◽  
J. L. Alonso
Keyword(s):  
Fourier Transform ◽  
Microwave Spectroscopy ◽  
Peptide Folding ◽  
Side Chain ◽  
Rotational Spectroscopy ◽  
Fourier Transform Microwave Spectroscopy

Dipeptide Ac-Ser-NH2 has been investigated using rotational spectroscopy with the polar side chain of serine, which is shown to be at the origin of the conformational locking to a γ-turn species.

Competitive tetrel bond and hydrogen bond in benzaldehyde-CO2: Characterization by rotational spectroscopy

2021 ◽  
Author(s):  
Hao Wang ◽  
Xiujuan Wang ◽  
Xiao Tian ◽  
Wanying Cheng ◽  
Yang Zheng ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Fourier Transform ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Rotational Spectrum ◽  
Pulsed Jet ◽  
Tetrel Bond ◽  
Fourier Transform Microwave Spectroscopy

The rotational spectrum of the 1:1 benzaldehyde-CO2 complex has been investigated by pulsed-jet Fourier transform microwave spectroscopy complemented with quantum chemical calculations. Two isomers, both characterized by one C···O tetrel...

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 Conformational preferences and internal rotation of methyl butyrate by microwave spectroscopy

2017 ◽  
Vol 337 ◽  
pp. 51-58 ◽  
Author(s):  
Alicia O. Hernandez-Castillo ◽  
Chamara Abeysekera ◽  
Brian M. Hays ◽  
Isabelle Kleiner ◽  
Ha Vinh Lam Nguyen ◽  
...  
Keyword(s):  
Internal Rotation ◽  
Microwave Spectroscopy ◽  
Conformational Preferences ◽  
Methyl Butyrate

scholarly journals Rotational spectroscopy of organophosphorous chemical agents: cresyl and phenyl saligenin phosphates

2019 ◽  
Vol 21 (30) ◽  
pp. 16418-16422
Author(s):  
Rizalina Tama Saragi ◽  
Marcos Juanes ◽  
José Luis Abad ◽  
Alberto Lesarri ◽  
Ruth Pinacho ◽  
...  
Keyword(s):  
Structural Properties ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Chemical Agents

Cresyl and phenyl saligenin phosphate have been probed in a jet expansion by broadband chirp-excitation microwave spectroscopy, revealing the most stable confirmations and their structural properties.

Structure and C⋯N tetrel-bonding of the isopropylamine–CO2 complex studied by microwave spectroscopy and theoretical calculations

2020 ◽  
Vol 22 (16) ◽  
pp. 8467-8475 ◽  
Author(s):  
Tao Lu ◽  
Jiaqi Zhang ◽  
Qian Gou ◽  
Gang Feng
Keyword(s):  
Hydrogen Bonds ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Theoretical Calculations ◽  
Microwave Spectroscopy ◽  
Aliphatic Amines ◽  
Rotational Spectroscopy ◽  
Tetrel Bond

The structural and energetic features of C⋯N tetrel bond and C–H⋯O hydrogen bonds linking CO2 and aliphatic amines were characterized with rotational spectroscopy and quantum chemical calculations.

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