Vibrational frequencies and spectroscopic constants of three, stable noble gas molecules: NeCCH+, ArCCH+, and ArCN+

2017 ◽  
Vol 19 (7) ◽  
pp. 5230-5238 ◽  
Author(s):  
Carlie M. Novak ◽  
Ryan C. Fortenberry
Keyword(s):  
Quantum Chemical ◽  
Spectroscopic Analysis ◽  
Noble Gas ◽  
Vibrational Frequencies ◽  
Spectroscopic Constants ◽  
Gas Molecules

The search for possible, natural, noble gas molecules has led to quantum chemical, spectroscopic analysis of NeCCH+, ArCCH+, and ArCN+.

A theory study about a novel neutral noble gas compound F4XeOsF4

2021 ◽  
Author(s):  
Kunqi Gao ◽  
Rui Zhao ◽  
Li Sheng
Keyword(s):  
Transition Metal ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Triple Bond ◽  
Noble Gas

The noble gas compound containing a triple bond of xenon and transition metal Os (i.e. F4XeOsF4, isomer A) is predicted using quantum-chemical calculations. At the MP2 level of theory, the...

Theoretical prediction of new noble-gas molecules FNgBNR (Ng = Ar, Kr, and Xe; R = H, CH3, CCH, CHCH2, F, and OH)

2013 ◽  
Vol 15 (24) ◽  
pp. 9701 ◽  
Author(s):  
Jien-Lian Chen ◽  
Chang-Yu Yang ◽  
Hsiao-Jing Lin ◽  
Wei-Ping Hu
Keyword(s):  
Theoretical Prediction ◽  
Noble Gas ◽  
Gas Molecules

Two new defensive constituents from potato tubers (Solanum tuberosum)

2017 ◽  
Vol 72 (6) ◽  
pp. 393-396
Author(s):  
Liangyan Liu ◽  
Jun Han ◽  
Yong Shen
Keyword(s):  
Solanum Tuberosum ◽  
Late Blight ◽  
Quantum Chemical ◽  
Spectroscopic Analysis ◽  
2D Nmr ◽  
Moderate Activity ◽  
Potato Tubers ◽  
Mycelia Growth ◽  
Late Blight Disease ◽  
Blight Disease

AbstractTwo new defensive constituents, solatuberenol A (1) and 3-O-β-d-glucopyranosyl stigmasta-5(6),24(28)-diene (2), were isolated from the potato tubers (Solanum tuberosum) infected with late blight disease. Their structures were identified by extensive spectroscopic analysis, including HRMS, IR, UV, 1D/2D NMR, ECD and quantum chemical calculations. Compounds 1 and 2 showed moderate activity against Phytophthora infestans with mycelia-growth inhibition of 30.1% and 52.4%, respectively, at the concentration of 500 ppm.

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