Iodine‐DMSO‐Catalyzed Chemoselective Biomimetic Aromatization of Tetrahydro‐ β ‐carbolines‐3‐carboxylic Acid: Mechanism Study with DFT‐Calculation

2019 ◽  
Vol 4 (34) ◽  
pp. 10054-10059
Author(s):  
Sunil V. Gaikwad ◽  
Dinesh N. Nadimetla ◽  
Mohammad Al Kobaisi ◽  
Manisha Devkate ◽  
Rekha Joshi ◽  
...  
Inorganics ◽  
2018 ◽  
Vol 6 (3) ◽  
pp. 76 ◽  
Author(s):  
Yasunobu Egawa ◽  
Chihiro Fukumoto ◽  
Koichiro Mikami ◽  
Nobuhiro Takeda ◽  
Masafumi Unno

Carboxylic acid chlorides are useful substrates in organic chemistry. Many germanium analogues of carboxylic acid chloride have been synthesized so far. Nevertheless, all of the reported germathioacid chlorides use bidentate nitrogen ligands and contain germanium-nitrogen bonds. Our group synthesized germathioacid chloride, Ge(S)Cl{C6H3-2,6-Tip2}(Im-i-Pr2Me2), using N-heterocyclic carbene (Im-i-Pr2Me2). As a result of density functional theory (DFT) calculation, it was found that electrons are localized on sulfur, and the germanium-sulfur bond is a single bond with a slight double bond property.


2020 ◽  
Vol 59 (21) ◽  
pp. 15717-15723
Author(s):  
Jae Young Noh ◽  
Seungmin Baek ◽  
Ju Hyun Park ◽  
Sang Kyu Kwak ◽  
Sang-Wook Kim

Small ◽  
2020 ◽  
Vol 16 (19) ◽  
pp. 2002132
Author(s):  
Hye Ji Han ◽  
Ju Hyun Park ◽  
Jin Kyoung Park ◽  
Imanuel Kristanto ◽  
Bum Jun Park ◽  
...  

Fuel ◽  
2017 ◽  
Vol 194 ◽  
pp. 63-74 ◽  
Author(s):  
Sijia Ding ◽  
Shujiao Jiang ◽  
Yasong Zhou ◽  
Qiang Wei ◽  
Wenwu Zhou

Author(s):  
Rui Peng ◽  
Yongcheng Lu ◽  
Qin Zhang ◽  
Yuanming Lai ◽  
Guoliang Yu ◽  
...  

AbstractWith the support of density functional theory (DFT) calculation, the amelioration of sintering and dielectric properties of the Mg3B2O6 (MBO) ceramic was realized through the substitution of magnesium with nickel. The TE-mode cylindrical cavity method was used to measure the dielectric properties at different frequencies. The thermo-mechanical analysis and simultaneous thermal analysis were used to characterize the chemical and mechanical properties. The phase composition was determined through the X-ray diffraction (XRD) and Raman spectrum. The microstructure was investigated using the scanning electron microscopy (SEM). Magnesium substitution with nickel (4 mol%) could ionize the B-O bond of BO3, modify the vibration mode, improve the order degree, densify the microstructure, decrease the intrinsic densification temperature, and ameliorate the dielectric properties of the MBO ceramics. The maximum values were achieved for the ceramics with 4 mol% nickel and sintered at 1175 °C, that is, 97.2% for relative density, 72,600 GHz (10 GHz), 75,600 GHz (11.4 GHz), and 92,200 GHz (15 GHz) for Q × f, 7.1 (10 GHz), 7.01 (11.4 GHz), and 6.91 (15 GHz) for εr, and −56.3 ppm/°C for τf.


Small ◽  
2019 ◽  
Vol 15 (43) ◽  
pp. 1904031 ◽  
Author(s):  
Hye Ji Han ◽  
Ju Hyun Park ◽  
Jin Kyoung Park ◽  
Imanuel Kristanto ◽  
Bum Jun Park ◽  
...  

2020 ◽  
Vol 497 ◽  
pp. 111205
Author(s):  
Ge Yan ◽  
Zhengyang Gao ◽  
Mingliang Zhao ◽  
Kai Ma ◽  
Zhao Ding ◽  
...  

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