Quantum-mechanical study and spectral analysis on some derivatives of Rhodamine in solutions

被引：8

作者：

Benchea, Andreea-Celia ^{[1
]}

Babusca, Daniela ^{[1
]}

Dimitriu, Dan Gheorghe ^{[1
]}

Dorohoi, Dana Ortansa ^{[1
]}

机构：

[1] Alexandra Ioan Cuza Univ Iasi, Fac Phys, 11 Carol I Blvd, RO-700506 Iasi, Romania

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2017年 / 172卷

关键词：

Rhodamine derivatives; Molecular modeling; Visible electronic absorption band; Solvatochromic study;

D O I：

10.1016/j.saa.2016.04.027

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Rhodamine derivatives (B and 6G) are heterocyclic compounds, related to florone. They are widely used as dyes with numerous biotechnological applications. The quantum-mechanical, electro-optical and spectral properties of the isolated molecules in the ground state were determined using molecular modeling programs. The visible electronic absorption spectra of 6G and B Rhodamine were recorded in solvents with different macroscopic parameters. Dipolar moments and polarizabilities of the studied Rhodamines in the excited state were determined by solvatochromic study. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：91 / 99

页数：9

共 50 条

[1] THE HEXATHIOCYANATOCHROMATE(III) ION IN NONAQUEOUS SOLUTIONS - A SPECTRAL, ELECTROCHEMICAL AND QUANTUM-MECHANICAL STUDY
LINERT, W
JAMESON, RF
GUTMANN, V
POURESMAEIL, B
JOURNAL OF COORDINATION CHEMISTRY, 1991, 24 (02) : 137 - 149
[2] Spectral and quantum mechanical study of some azo-derivatives
Babusca, Daniela
Morosanu, Ana Cezarina
Benchea, Andreea Celia
Dimitriu, Dan Gheorghe
Dorohoi, Dana Ortansa
JOURNAL OF MOLECULAR LIQUIDS, 2018, 269 : 940 - 946
[3] STUDY OF SPECTRAL REPRESENTATIONS FOR SIMPLE QUANTUM-MECHANICAL SYSTEMS
HELLMAN, WS
ROMAN, P
AMERICAN JOURNAL OF PHYSICS, 1967, 35 (07) : 614 - &
[4] QUANTUM-MECHANICAL SOLUTIONS BY COMPUTER
BELLINGER, GR
POTH, JE
BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1975, 20 (07): : 889 - 889
[5] Iterative solutions to quantum-mechanical problems
Tymczak, CJ
Japaridze, GS
Handy, CR
Wang, XQ
PHYSICAL REVIEW A, 1998, 58 (04): : 2708 - 2720
[6] SPECTRAL INVESTIGATIONS AND QUANTUM-MECHANICAL CULCULATIONS OF ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES OF FLUORENCE FLUORENONE AND SOME OF THEIR DERIVATIVES .I.
DANILOVA, VI
BAZYL, OK
NOVIKOV, AN
IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII FIZIKA, 1968, (05): : 121 - &
[7] SOME QUANTUM-MECHANICAL INDEXES OF REACTIVITY
TOMILIN, OB
STANKEVICH, IV
BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1975, 24 (06): : 1176 - 1183
[8] SOME REMARKS ON QUANTUM-MECHANICAL REPRESENTATION
JANNUSSIS, A
FILIPPAKIS, P
LETTERE AL NUOVO CIMENTO, 1978, 23 (04): : 121 - 125
[9] QUANTUM-MECHANICAL ANALYSIS OF ELECTRONIC TRANSITIONS IN SOME CYANINE DYE PHOTOSENSITIZERS
WEINSTEI.H
APFELDER.B
BERG, RA
PHOTOCHEMISTRY AND PHOTOBIOLOGY, 1973, 18 (03) : 175 - 183
[10] QUANTUM-MECHANICAL STUDY OF THE ANTIINFLAMMATORY ACTIVITY OF SOME ALPHA-PHENYLPROPIONIC ACID-DERIVATIVES AS A FUNCTION OF THEIR PKA
SMEYERS, YG
HERNANDEZLAGUNA, A
AGUILERA, J
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1987, 84 (06) : 779 - 781

← 1 2 3 4 5 →