Synthesis and Ab Initio/DFT Studies on 2-(4-methoxyphenyl)benzo[d]thiazole
2-aminothiophenol and 4-methoxybenzaldehyde were cyclized under microwaveirridation and solvent free conditions to synthesize 2-(4-methoxyphenyl)benzo[d]thiazole.The molecular structure and vibrational frequencies of the title compound in the groundstate have been investigated with ab initio (HF) an...
Main Authors: | Öztekin Algül, Hakan Arslan |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2007-08-01
|
Series: | International Journal of Molecular Sciences |
Subjects: | |
Online Access: | http://www.mdpi.com/1422-0067/8/8/760/ |
Similar Items
Ab initio study of the electronic spectrum of BeO
by: Adamović Ivana, et al.
Published: (1999-01-01)
by: Adamović Ivana, et al.
Published: (1999-01-01)
Similar Items
-
Détermination ab initio de potentiels électroniques pour le calcul de données spectroscopiques
by: Brites, Vincent
Published: (2010) -
Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures
by: Shi, Jingming
Published: (2017) -
Energetic and bonding study of hexamethylenetetramine and fourteen related cage molecules: An ab initio G3 (MP2) investigation
by: Ho H.O., et al.
Published: (2005-01-01) -
Energetics and bonding study of hexamethylenetetramine and fourteen related cage molecules: An ab initio G3(MP2) investigation
by: HO-ON HO, et al.
Published: (2005-04-01) -
Ab initio study of the electronic spectrum of BeO
by: Adamović Ivana, et al.
Published: (1999-01-01)