Synthesis, Microwave Spectrum, Quantum Chemical Calculations, and Conformational Composition of the Novel Compound Cyclopropylethylidynephosphine (C3H5CH2C≡P)

2014 ◽  
Vol 118 (43) ◽  
pp. 9994-10001 ◽  
Author(s):  
Svein Samdal ◽  
Harald Møllendal ◽  
Jean-Claude Guillemin
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Microwave Spectrum ◽  
The Novel ◽  
Conformational Composition

The decomposition of benzenesulfonyl azide: a matrix isolation and computational study

2017 ◽  
Vol 19 (5) ◽  
pp. 3792-3799 ◽  
Author(s):  
Guohai Deng ◽  
Xuelin Dong ◽  
Qifan Liu ◽  
Dingqing Li ◽  
Hongmin Li ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Direct Observation ◽  
Quantum Chemical ◽  
Computational Study ◽  
Matrix Isolation ◽  
The Novel ◽  
Curtius Rearrangement

The stepwise Curtius-rearrangement of benzenesulfonyl azide, PhS(O)2N3, has been proven experimentally by the direct observation of the novel intermediates sulfonyl nitrene PhS(O)2N and N-sulfonyl imine PhNSO2 and theoretically by quantum chemical calculations.

scholarly journals Conformational sampling and large amplitude motion of methyl valerate

2021 ◽  
Author(s):  
Ha Vinh Lam Nguyen ◽  
Maike Andresen ◽  
Wolfgang Stahl
Keyword(s):  
Fourier Transform ◽  
Quantum Chemical Calculations ◽  
Large Amplitude ◽  
Quantum Chemical ◽  
Microwave Spectrum ◽  
Conformational Sampling ◽  
Frequency Range ◽  
Large Amplitude Motion

The microwave spectrum of the fruit ester methyl valerate was recorded using two molecular jet Fourier transform spectrometers covering the frequency range from 2 to 40 GHz. Quantum chemical calculations...

scholarly journals Microwave Spectrum, Conformational Equilibrium and Quantum Chemical Calculations of Urethane (Ethyl Carbamate).

1999 ◽  
Vol 53 ◽  
pp. 329-334 ◽  
Author(s):  
K.-M. Marstokk ◽  
Harald Møllendal ◽  
Pekka Suomalainen ◽  
Tapani A. Pakkanen ◽  
Markku Ahlgrén ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Conformational Equilibrium ◽  
Ethyl Carbamate ◽  
Microwave Spectrum
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