Molecular structure, natural bond analysis, vibrational, and electronic spectra of aspartateguanidoacetatenickel(II), [Ni(Asp)(GAA)]·H 2O: DFT quantum mechanical calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 97, Issue , 2012, Pages 1041-1051

  Ramos, J M ^b,c   De M Cruz, M T ^b   Costa Jr , A C ^b,d   Ondar, G F ^b,d   Ferreira, Glaucio B ^b   Raniero, L ^a   Martin, A A ^a   Versiane, O ^d   Tellez Soto C A ^a  

^a INSTITUTO DE PESQUISA E DESENVOLVIMENTO   (Brazil)

^b FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

^c FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^d INSTITUTO FEDERAL DE EDUCAÇÃO   (Brazil)

Author keywords

Aspartateguanidoacetatenickel(II) complex; DFT:B3LYP 6 311G(d, p); FT infrared; FT Raman spectra; SERS; UV Vis spectrum

Indexed keywords

ASPARTATEGUANIDOACETATENICKEL(II) COMPLEX; DFT:B3LYP/6-311G(D, P); FT-INFRARED; FT-RAMAN SPECTRUM; SERS; UV-VIS SPECTRUM;

AMINO ACIDS; CHARGE TRANSFER; RAMAN SCATTERING; RAMAN SPECTROSCOPY; THERMOGRAVIMETRIC ANALYSIS;

GALLIUM ALLOYS;

ASPARTIC ACID; NICKEL; ORGANOMETALLIC COMPOUND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

ASPARTIC ACID; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NICKEL; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 84865403475     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.07.087     Document Type: Article

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