Effects of intramolecular hydrogen bond and electron delocalization on the basicity of proton sponges and superbases with benzene, pyridine, pyrazine and pyrimidine scaffolds

Electron Delocalization ◽

Proton Sponges ◽

Competition between the intramolecular hydrogen bond and the π-electron delocalization in some RAHB systems: A theoretical study

Журнал структурной химии ◽

10.26902/jsc_id40420 ◽

2019 ◽

Vol 60 (5) ◽

Keyword(s):

Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Solvent effects on the molecular stability, intramolecular hydrogen bond, and π-electron delocalization in the simple RAHB systems with different donors and acceptors: a quantum chemical study

Structural Chemistry ◽

10.1007/s11224-018-1221-2 ◽

2018 ◽

Vol 30 (3) ◽

pp. 777-785 ◽

Cited By ~ 1

Author(s):

Ramin Rafat ◽

Alireza Nowroozi

Keyword(s):

Hydrogen Bond ◽

Solvent Effects ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electron Delocalization ◽

Molecular Stability ◽

A comprehensive theoretical study of conformational analysis, intramolecular hydrogen bond, π-electron delocalization, and tautomeric preferences in 2-selenoformyl-3-thioxo-propionaldehyde

Structural Chemistry ◽

10.1007/s11224-018-1088-2 ◽

2018 ◽

Vol 29 (4) ◽

pp. 1057-1065 ◽

Cited By ~ 2

Author(s):

Ramin Rafat ◽

Alireza Nowroozi

Keyword(s):

Hydrogen Bond ◽

Conformational Analysis ◽

Theoretical Study ◽

Electron Delocalization ◽

Competition Between the Intramolecular Hydrogen Bond and the π-Electron Delocalization in Some RAHB Systems: A Theoretical Study

Journal of Structural Chemistry ◽

10.1134/s002247661905007x ◽

2019 ◽

Vol 60 (5) ◽

pp. 755-762

Author(s):

R. Rafat ◽

A. Nowroozi

Keyword(s):

Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Exploring the correlation between the π-electron delocalization and intramolecular hydrogen bond in malonaldehyde derivatives; a quantum chemical study

Structural Chemistry ◽

10.1007/s11224-014-0421-7 ◽

2014 ◽

Vol 25 (5) ◽

pp. 1415-1422 ◽

Cited By ~ 12

Author(s):

Alireza Nowroozi ◽

Ebrahim Nakhaei ◽

Ehsan Masumian

Keyword(s):

Hydrogen Bond ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electron Delocalization ◽

A comprehensive theoretical study of mutual interactions between the intramolecular hydrogen bond and π-electron delocalization of RAHB units with the benzene rings in salicylaldehyde and ortho-aminobenzaldehyde with their thio and seleno analogues

Structural Chemistry ◽

10.1007/s11224-017-0921-3 ◽

2017 ◽

Vol 28 (4) ◽

pp. 1141-1149 ◽

Cited By ~ 3

Author(s):

Omid Rezvani Rad ◽

Alireza Nowroozi

Keyword(s):

Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Benzene Rings ◽

Theoretical study of intramolecular hydrogen bond in selected symmetric “proton sponges” on the basis of DFT and CPMD methods

Journal of Molecular Modeling ◽

10.1007/s00894-020-4296-9 ◽

2020 ◽

Vol 26 (2) ◽

Cited By ~ 1

Author(s):

Aneta Jezierska ◽

Jarosław J. Panek

Keyword(s):

Hydrogen Bond ◽

Theoretical Study ◽

Proton Sponges ◽

The competition between the intramolecular hydrogen bond and π-electron delocalization in trifluoroacetylacetone-A theoretical study

International Journal of Quantum Chemistry ◽

10.1002/qua.22129 ◽

2010 ◽

Vol 111 (3) ◽

pp. 578-585 ◽

Cited By ~ 18

Author(s):

Alireza Nowroozi ◽

Hossain Roohi ◽

Mohammad Sadegh Sadeghi Ghoogheri ◽

Mohseneh Sheibaninia

Keyword(s):

Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Evaluation the origin of conformational preferences in trifluoroacetylacetaldehyde by detail analysis of the intramolecular hydrogen bond and π-electron delocalization in the ground and first excited states

Journal of Structural Chemistry ◽

10.1134/s0022476617060257 ◽

2017 ◽

Vol 58 (6) ◽

pp. 1251-1261

Author(s):

F. Ghorbani Naeini ◽

A. Nowroozi

Keyword(s):

Hydrogen Bond ◽

Excited States ◽

Electron Delocalization ◽

Conformational Preferences ◽

Relationship between Basicity, Strain, and Intramolecular Hydrogen-Bond Energy in Proton Sponges

Journal of the American Chemical Society ◽

10.1021/ja0010094 ◽

2000 ◽

Vol 122 (34) ◽

pp. 8238-8244 ◽

Cited By ~ 79

Author(s):

Siân T. Howard

Keyword(s):

Hydrogen Bond ◽

Bond Energy ◽

Hydrogen Bond Energy ◽

Proton Sponges ◽