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
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
收藏
页码:91 / 99
页数:9
相关论文
共 50 条
  • [21] A QUANTUM-MECHANICAL STUDY OF THE WATER MOLECULE
    MCWEENY, R
    OHNO, KA
    PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 255 (1282): : 367 - 381
  • [22] A quantum-mechanical study of oxidized oligopyrroles
    Tamm, T
    Tamm, J
    Karelson, M
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 71 (01) : 101 - 109
  • [23] QUANTUM-MECHANICAL STUDY ON HORMONAL STEROIDS
    VASSILEVA-POPOVA, JG
    PAVLOV, RL
    MECHEV, IK
    MLADENOV, IM
    TASSEVA, DB
    JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY, 1978, 9 (09): : 815 - 815
  • [24] AN APPROACH TO A QUANTUM-MECHANICAL MODEL FOR SOLID-SOLUTIONS
    CLOKE, PL
    BULLETIN DE MINERALOGIE, 1981, 104 (2-3): : 186 - 192
  • [25] PERTURBATIVE SOLUTIONS OF QUANTUM-MECHANICAL PROBLEMS BY SYMBOLIC COMPUTATION
    SCOTT, TC
    MOORE, RA
    MONAGAN, MB
    FEE, GJ
    VRSCAY, ER
    JOURNAL OF COMPUTATIONAL PHYSICS, 1990, 87 (02) : 366 - 395
  • [26] EXACT QUANTUM-MECHANICAL SOLUTIONS FOR ANHARMONIC-OSCILLATORS
    MAGYARI, E
    PHYSICS LETTERS A, 1981, 81 (2-3) : 116 - 118
  • [27] Spectral study of Rhodamine dyes in binary solutions
    Benchea, Andreea Celia
    Babusca, Daniela
    Morosanu, Ana Cezarina
    Dimitriu, Dan Gheorghe
    Dorohoi, Dana Ortansa
    JOURNAL OF MOLECULAR STRUCTURE, 2017, 1140 : 71 - 76
  • [28] AN IMPROVED QUANTUM-MECHANICAL STUDY OF ENVIRONMENTAL-EFFECTS ON THE SPECTRAL SHIFT OF THE RHODOPSIN SYSTEM
    RAUDINO, A
    ZUCCARELLO, F
    BUEMI, G
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1983, 79 : 1759 - 1770
  • [29] QUANTUM-MECHANICAL STUDY OF SOME H2-RECEPTOR ANTAGONISTS OF HISTAMINE
    SMEYERS, YG
    HERNANDEZLAGUNA, A
    MUNOZCARO, C
    ROMEROSANCHEZ, FJ
    JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1987, 84 (05) : 633 - 636
  • [30] A QUANTUM-MECHANICAL CALCULATION OF THE RATES OF SOME CHEMICAL REACTIONS
    BAUER, E
    WU, TY
    JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (04): : 726 - 733