Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2,4-bis(2-methoxyphenyl)-1-phenylanthracene- 9,10-dione by ab initio HF and density functional methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 117, Issue , 2014, Pages 413-421

  Joseph, Tomy ^a   Varghese, Hema Tresa ^b   Panicker, C Yohannan ^c   Thiemann, Thies ^d,g   Viswanathan, K ^a   Van Alsenoy, Christian ^e   Manojkumar, T K ^f  

^a KARPAGAM UNIVERSITY   (India)

^b FATIMA MATA NATIONAL COLLEGE   (India)

^c TKM COLLEGE OF ARTS AND SCIENCE   (India)

^d KYUSHU UNIVERSITY   (Japan)

^e UNIVERSITY OF ANTWERP   (Belgium)

^f INDIAN INSTITUTE OF INFORMATION TECHNOLOGY AND MANAGEMENT KERALA   (India)

^g UNITED ARAB EMIRATES UNIVERSITY   (United Arab Emirates)

Author keywords

Anthraquinone; DFT; FT IR FT Raman; Hyperpolarizability

Indexed keywords

ANTHRAQUINONE; DFT; FIRST HYPERPOLARIZABILITIES; FIRST-ORDER HYPERPOLARIZABILITY; FT-RAMAN; HYPER-POLARIZABILITY; NONLINEAR OPTICAL APPLICATIONS; POTENTIAL ENERGY DISTRIBUTION;

AROMATIC COMPOUNDS; CALCULATIONS; KETONES; MOLECULES; SPECTRUM ANALYSIS; UREA;

SPECTROSCOPIC ANALYSIS;

2,4 BIS(2 METHOXYPHENYL) 1 PHENYLANTHRACENE 9,10 DIONE; 2,4-BIS(2-METHOXYPHENYL)-1-PHENYLANTHRACENE-9,10-DIONE; ANTHRAQUINONE; ANTHRAQUINONE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DFT; FT-IR; FT-RAMAN; HYPERPOLARIZABILITY; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

ANTHRAQUINONE; DFT; FT-IR; FT-RAMAN; HYPERPOLARIZABILITY;

ANTHRAQUINONES; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 84883280408     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.08.016     Document Type: Article

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