2024-03-29T12:19:22Z
https://www.chemrevlett.com/?_action=export&rf=summon&issue=11048
Chemical Review and Letters
Chem. Rev. Lett.
2676-7279
2676-7279
2018
1
1
Letter of Editor-in-Chief
2018
07
01
1
1
https://www.chemrevlett.com/article_85110_3ba497f9eaf02543a14e9a1fcd8854e4.pdf
Chemical Review and Letters
Chem. Rev. Lett.
2676-7279
2676-7279
2018
1
1
Insight into Y@X2B8 (Y= Li, CO2 and Li-CO2, X = Be, B and C) nanostructures: A computational study
Ipak
Torkpoor
Musa
Heidari Nezhad Zanjanpour
Navid
Salehi
Fatemeh
Gharibzadeh
Ladan
Edjlali
The doping of the Li atom and CO2 molecule to the X2B8 (X = Be, B and C) backbones have been carried out on the potential energy surface to provide clear vision on the structural and electronic features of the Y@X2B8 (Y = Li, CO2 and Li&CO2, X = Be, B and C) systems. Our results show that the adsorption energies of the Li atom in the Li@X2B8 systems (-1.52 eV ~ -3.05 eV) are much bigger than those of the CO2 molecule in the CO2@X2B8 systems (-0.10 eV ~ -0.89 eV). Moreover, the B2B8 and the Be2B8 can be selected as prefer backbones for the adsorption of Li atom and the CO2 molecule, respectively. Finally, bigger adsorption energy of the Li&CO2@Be2B8 system (-1.06 eV) compared with that of the CO2@Be2B8 system (-0.89 eV) presents that the Li atom doping in the Be2B8 backbone increases adsorption energy of the CO2 molecule. Similar result has been not found for the B2B8 and the C2B8 backbones
Li
CO2
X2B8
Electron transfer
2018
08
30
2
8
https://www.chemrevlett.com/article_85108_b3e440f3f881d3b82ee36bdcf4a3bbeb.pdf
Chemical Review and Letters
Chem. Rev. Lett.
2676-7279
2676-7279
2018
1
1
New insight in Hiyama cross-coupling reactions: Decarboxylative, denitrogenative and desulfidative couplings
Shahriar
Sarhandi
Zahra
Rahmani
Robab
Moghadami
Mehdi
Vali
Esmail
Vessally
In this mini-review, recent advances and developments in the decarboxylative, denitrogenative, and desulfidative Hiyama-type cross-coupling reaction from 2011 up present are studied. This review focused mainly on mechanistic aspects of Hiyama cross-coupling reactions
Hiyama cross-coupling
Decarboxylative coupling
Denitrogenative coupling
Desulfitative coupling
Organosilanes
2018
08
30
9
15
https://www.chemrevlett.com/article_85109_52516bbd86888f8355c135794e3a680e.pdf
Chemical Review and Letters
Chem. Rev. Lett.
2676-7279
2676-7279
2018
1
1
The Be atom doping: An effective way to improve the Li-atom adsorption in boron rich nanoflake of B24
Fatemeh
Gharibzadeh
Samira
Gohari
Kamellia
Nejati
Bahlol
Hashemzadeh
Soheila
Mohammadiyan
Based on the density functional techniques, we have carried out the doping Be atom to the B24 molecule, nBe@B24 (n = 1 and 2), which follows through addition of the Li atom to the most stable nBe@B24 (n = 1 and 2) molecules. The calculated results show that the doping Be atom causes to the severe deformation of the B24 molecule along with big values of vertical ionization energy for the nBe@B24 (n = 1 and 2) molecules. Moreover, the range -2.65 eV ~ -4.49 eV for the adsorption energy per Be atom confirms unique thermodynamic stability of the nBe@B24 (n = 1 and 2) molecules. Note that the dominant thermodynamic and chemical stability among all the nBe@B24 (n = 1 and 2) molecules belongs to the cage configuration of the B24 molecule. The positive charges of the Be atoms, 0.60 e ~ 0.97 e, the lack of the Be-Be interaction and high chemical flexibility of the B atoms have been observed in the nBe@B24 (n = 1 and 2) molecules based on the natural bond orbital (NBO) and the atoms in molecules (AIM) analysis. The value of first hyperpolarizability, βtotal,in the nBe@B24 (n = 1 and 2) molecules depends severely on both the number of the Be atoms and the backbone configuration. Moreover, addition of Li atom presents the existence of the Be atom(s) increases the adsorption energy of the Li atom in the B24 molecule
B24
Doping
First hyperpolarizability
NCI
2018
09
01
16
22
https://www.chemrevlett.com/article_85213_bb77fa5c77467df54b1f655a09db2b60.pdf
Chemical Review and Letters
Chem. Rev. Lett.
2676-7279
2676-7279
2018
1
1
A review on the CO2 Incorporation Reactions Using Arynes
Maryam
Daghagheleh
Mehdi
Vali
Zahra
Rahmani
Shahriar
Sarhandi
Esmail
Vessally
Arynes are highly reactive and kinetically unstable intermediates, which have been extensively utilized in various carbon-carbon and carbon-heteroatom bond formation reactions. Multi-component couplings of these intermediates are powerful transformations that allow for efficient synthesis of a wide range of carbocycles and heterocycles, as well as natural products. On the other hand, CO2-fixation reactions are one of the safest and most inexpensive methods for the synthesis of various value-added chemicals. Along this line, recently, several elegant multi-component reactions involving arynes were designed for the incorporation of CO2. This review provides a comprehensive overview of the CO2 incorporation reactions using arynes, with the emphasis on the mechanistic aspects of the reactions
Carbon dioxide
arynes
Multi-component reactions
1
3-zwitterionic intermediate
2018
09
02
23
30
https://www.chemrevlett.com/article_85117_4ebff1ddc9d81542318c28e9ee133988.pdf
Chemical Review and Letters
Chem. Rev. Lett.
2676-7279
2676-7279
2018
1
1
Applying the B12N12 nanoparticle as the CO, CO2, H2O and NH3 sensor
Robabeh
Rostamoghli
Mahshad
Vakili
Alireza
Banaei
Eslam
Pourbasheer
Khodadad
Jalalierad
In this study, the various properties including the stability energies, structural and electronic aspects of the hydrazine (N2H4), carbon monoxide (CO) water (H2O) and ammonia (NH3) molecules adsorptions on the top of the boron nitride nanoparticles (BNn) were studied through the Minnesota Functionals computations, DFT/M06-2X. The calculations clarifies that the most stable adsorption configurations are those in which the oxygen, carbon, oxygen and nitrogen atoms of CO2, CO, H2O and NH3 are closed to the boron atom of the nanoparticle, respectively. The absorption energies were obtained about -0.14, -0.15, -0.87 and -1.54 eV for abosorption of CO2, CO, H2O and NH3 gasses. The geometry optimizations, energy calculations and NBO charge transfer were used to evaluate the sensing ability of BNn for different analytes. The computed density of states (DOS) clarifies that a strong orbital hybridization take place between CO2, CO, H2O and NH3 and BNn in adsorption process. Finally, it is concluded that the BNn nanoparticle has greater response selectivity toward NH3 compared to CO, CO2 and H2O
Carbon monoxide
Carbon dioxide
Water
Ammonia
BNn
M06-2X
2018
09
08
31
36
https://www.chemrevlett.com/article_85214_682365c28c634e467b14b50ccd2a6fd2.pdf
Chemical Review and Letters
Chem. Rev. Lett.
2676-7279
2676-7279
2018
1
1
Nanocatalysts for conversion of aldehydes/alcohols/amines to nitriles: A review
Sheritasadat
Shahidi
Parya
Farajzadeh
Parisa
Ojaghloo
Ida
Karbakhshzadeh
Akram
Hosseinian
This review discussed the recent advances and developments on the applications of nanocatalysts in the synthesis of organic nitrile derivatives. The review is divided into three major sections. The first section will cover conversion of aldehydes into nitriles. The second focuses exclusively on conversion of alcohols into nitriles. The third will discuss conversion of amines into nitriles. Literature has been surveyed until the end of 2018
Nanoparticles
Nitriles
Metal catalysts
Ammoxidation
2018
09
10
37
44
https://www.chemrevlett.com/article_85118_3ae197558591748cd8d76d75cebfcd98.pdf