Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-Benzo<f>Quinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-Benzo<f>Quinoline

Todirascu, Antonina Gritco; Morosanu, Cezarina; Partenie, Doina; Dorohoi, Dana Ortansa; Creanga, Dorina

Antonina Gritco Todirascu, Cezarina Morosanu, Doina Partenie, Dana Ortansa Dorohoi, Dorina Creanga

Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline

Abstract:

The quantum mechanical and spectral study of two related compounds, namely, 1-p-nitro-benzoyl-benzo[f]quinolinium methylid (BF1) and its cycloadduction derivative 1-p-nitro-benzoyl-2,3-dicarbomethoxy-pyrrolo-[1,2a]-benzo[f]quinoline (BF2) was carried out. Some electro-optical parameters in ground state were estimated by ab initio method. The solvatochromic behavior of the visible spectrum absorption band of the studied molecules in solvents with different macroscopic electro-optical proprieties was analyzed in order to estimate some microscopic molecular parameters of BF1 and BF2 in the excited state. Thus it was evidenced that, by excitation, the increase of BF1dipole moment and electric polarizability occurred while for BF2 either the increase or the decrease of these two parameters was found. The study is of practical importance for further synthesis of new derived compounds with potential applications in life sciences.

Keywords:
structural modeling; excited state dipole moment; excited state polarizability

Issue: 2018, Volume 69, Issue 9

Pages: 2331-2337

Publication date: 2018/10/15

https://doi.org/10.37358/RC.18.9.6528

Download Pdf Article

This article is published under the Creative Commons Attribution 4.0 International License

Citation Styles

Cite this article as:
TODIRASCU, A.G., MOROSANU, C., PARTENIE, D., DOROHOI, D.O., CREANGA, D., Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline, Rev. Chim., 69(9), 2018, 2331-2337.

Vancouver
Todirascu AG, Morosanu C, Partenie D, Dorohoi DO, Creanga D. Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline. Rev. Chim.[internet]. 2018 Sep;69(9):2331-2337. Available from: https://doi.org/10.37358/RC.18.9.6528

APA 6th edition
Todirascu, A.G., Morosanu, C., Partenie, D., Dorohoi, D.O. & Creanga, D. (2018). Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline. Revista de Chimie, 69(9), 2331-2337. https://doi.org/10.37358/RC.18.9.6528

Harvard
Todirascu, A.G., Morosanu, C., Partenie, D., Dorohoi, D.O., Creanga, D. (2018). 'Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline', Revista de Chimie, 69(9), pp. 2331-2337. https://doi.org/10.37358/RC.18.9.6528

IEEE
A.G. Todirascu, C. Morosanu, D. Partenie, D.O. Dorohoi, D. Creanga, "Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline". Revista de Chimie, vol. 69, no. 9, pp. 2331-2337, 2018. [online]. https://doi.org/10.37358/RC.18.9.6528

Text
Antonina Gritco Todirascu, Cezarina Morosanu, Doina Partenie, Dana Ortansa Dorohoi, Dorina Creanga,
Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline,
Revista de Chimie,
Volume 69, Issue 9,
2018,
Pages 2331-2337,
ISSN 2668-8212,
https://doi.org/10.37358/RC.18.9.6528.
(https://revistadechimie.ro/Articles.asp?ID=6528)
Keywords: structural modeling; excited state dipole moment; excited state polarizability

RIS
TY - JOUR
T1 - Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline
A1 - Todirascu, Antonina Gritco
A2 - Morosanu, Cezarina
A3 - Partenie, Doina
A4 - Dorohoi, Dana Ortansa
A5 - Creanga, Dorina
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2018
VL - 69
IS - 9
SP - 2331
EP - 2337
UR - https://doi.org/10.37358/RC.18.9.6528
KW - structural modeling
KW - excited state dipole moment
KW - excited state polarizability
ER -

BibTex
@article{RevCh2018P2331,
author = {Todirascu Antonina Gritco and Morosanu Cezarina and Partenie Doina and Dorohoi Dana Ortansa and Creanga Dorina},
title = {Quantum Mechanical and Spectral Comparative Study of 1-p-Nitro-Benzoyl-BenzoQuinolinium Methylid and 1-p-Nitrobenzoyl-2,3-Dicarbomethoxy-Pyrrolo-<1,2a>-BenzoQuinoline},
journal = {Revista de Chimie},
volume = {69},
number = {9},
pages = {2331-2337},
year = {2018},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.18.9.6528},
url = {https://revistadechimie.ro/Articles.asp?ID=6528}
}

<<<< back

PUBLISHING SECTION

Author Guidelines

* Paper Drafting

* Paper Template

* Ethical Statement

* Paper Submission

Ghidul Autorului (ro)

Open Access & Archiving Policy

Search Authors

LATEST NEWS
	NUMAR OMAGIAL PETRU PONI.. detalii
	Revista de Chimie - 70 de ani de aparitie neintrerupta.. detalii
	English-Romanian Dictionary for Mechanical Engineering (download pdf)