Synthesis, spectroscopic characterization, crystal and molecular structure of [ReOBr(hmquin-7-COOH)2] and [ReOCl(hmquin-7-COOH)2]·MeCN complexes. DFT and TD-DFT calculations for [ReOBr(hmquin-7-COOH)2]

B. Machura; J. Kusz; D. Tabak; R. Kruszynski

doi:10.1016/j.poly.2008.11.053

Synthesis, spectroscopic characterization, crystal and molecular structure of [ReOBr(hmquin-7-COOH)2] and [ReOCl(hmquin-7-COOH)2]·MeCN complexes. DFT and TD-DFT calculations for [ReOBr(hmquin-7-COOH)2]

Polyhedron ◽

10.1016/j.poly.2008.11.053 ◽

2009 ◽

Vol 28 (3) ◽

pp. 493-500 ◽

Cited By ~ 15

Author(s):

B. Machura ◽

J. Kusz ◽

D. Tabak ◽

R. Kruszynski

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterization ◽

Td Dft

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Synthesis, spectroscopic characterization, crystal and molecular structure of [ReOX2(bopyH)(PPh3)] complexes: DFT calculations for [ReOCl2(bopyH)(PPh3)]

Polyhedron ◽

10.1016/j.poly.2007.12.019 ◽

2008 ◽

Vol 27 (4) ◽

pp. 1262-1269 ◽

Cited By ~ 7

Author(s):

B. Machura ◽

J. Miłek ◽

R. Kruszynski ◽

J. Kusz ◽

J. Mroziński

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterization

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Synthesis, spectroscopic characterisation, crystal and molecular structure of [ReOBr(quin-2-c)2] and [ReOCl(quin-2-c)2] complexes: DFT and TD-DFT calculations for [ReOBr(quin-2-c)2]

Polyhedron ◽

10.1016/j.poly.2007.09.010 ◽

2008 ◽

Vol 27 (1) ◽

pp. 187-195 ◽

Cited By ~ 15

Author(s):

B. Machura ◽

J. Kusz

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Crystal And Molecular Structure ◽

Td Dft ◽

Spectroscopic Characterisation

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Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.09.041 ◽

2013 ◽

Vol 101 ◽

pp. 370-381 ◽

Cited By ~ 13

Author(s):

S. Sebastian ◽

S. Sylvestre ◽

D. Jayarajan ◽

M. Amalanathan ◽

K. Oudayakumar ◽

...

Keyword(s):

Molecular Structure ◽

Biological Activity ◽

Dft Calculations ◽

Natural Bond Orbital ◽

Activity Analysis ◽

Vibrational Frequencies ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

Td Dft

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Synthesis, spectroscopic studies and DFT/TD-DFT/PCM calculations of molecular structure, spectroscopic characterization and NBO of charge transfer complex between 5-amino-1,3-dimethylpyrazole (5-ADMP) with chloranilic acid (CLA) in different solvents

Journal of Molecular Liquids ◽

10.1016/j.molliq.2018.12.072 ◽

2019 ◽

Vol 277 ◽

pp. 453-470 ◽

Cited By ~ 11

Author(s):

Khairia M. Al-Ahmary ◽

Moustafa M. Habeeb ◽

Safaa H. Aljahdali

Keyword(s):

Molecular Structure ◽

Charge Transfer ◽

Charge Transfer Complex ◽

Spectroscopic Characterization ◽

Spectroscopic Studies ◽

Chloranilic Acid ◽

Td Dft

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Crystal and molecular structure, and spectroscopic characterization of tetrakis(2-amino-1,3,4-thiadiazolium) hexadecabromotetra-antimonate(III)

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9880002501 ◽

1988 ◽

pp. 2501 ◽

Cited By ~ 10

Author(s):

Luciano Antolini ◽

Adriano Benedetti ◽

Antonio C. Fabretti ◽

Aleardo Giusti

Keyword(s):

Molecular Structure ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterization

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Synthesis, characterization crystal and molecular structure studies of 5-(3-Methylbenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one: Hirshfeld surface analysis and DFT calculations

Chemical Data Collections ◽

10.1016/j.cdc.2019.100292 ◽

2019 ◽

Vol 24 ◽

pp. 100292 ◽

Cited By ~ 1

Author(s):

S. Naveen ◽

Karthik Kumara ◽

Helmi M. Al-Maqtari ◽

M.V. Deepa Urs ◽

Joazaizulfazli Jamalis ◽

...

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Surface Analysis ◽

Crystal And Molecular Structure ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

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Norharmane rhenium(i) polypyridyl complexes: synthesis, structural and spectroscopic characterization

Dalton Transactions ◽

10.1039/c5dt02790j ◽

2015 ◽

Vol 44 (39) ◽

pp. 17064-17074 ◽

Cited By ~ 8

Author(s):

Iván Maisuls ◽

Ezequiel Wolcan ◽

Oscar E. Piro ◽

Gustavo A. Etcheverría ◽

Gabriela Petroselli ◽

...

Keyword(s):

Dft Calculations ◽

Spectroscopic Characterization ◽

Electronic Transitions ◽

Polypyridyl Complexes ◽

Td Dft

Novel Re(i) polypyridyl complexes with norharmane as a ligand were obtained and characterized by different techniques. The nature of the electronic transitions was established by TD-DFT calculations.

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Crystal and molecular structure of the resonance stabilized azaylide Ph 2 P[NC(O)Ph]NHC(O)Ph and its IR spectroscopic characterization

Journal of Molecular Structure ◽

10.1016/s0022-2860(01)00956-5 ◽

2002 ◽

Vol 609 (1-3) ◽

pp. 109-114 ◽

Cited By ~ 1

Author(s):

V. Maurizot ◽

L. Jäger ◽

A. Kolbe ◽

C. Wagner ◽

M. Taillefer ◽

...

Keyword(s):

Molecular Structure ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterization ◽

Ir Spectroscopic

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Synthesis, spectroscopic characterization, and biological activity studies of organotin(IV) derivatives of (E)-3-(3-fluorophenyl)-2-phenyl-2-propenoic acid. Crystal and molecular structure of Et2Sn[OCOC(C6H5)CH(3-FC6H4)]

Heteroatom Chemistry ◽

10.1002/hc.20243 ◽

2006 ◽

Vol 17 (5) ◽

pp. 420-432 ◽

Cited By ~ 11

Author(s):

Sadiq-ur-Rehman ◽

Saqib Ali ◽

M. Mazhar ◽

Amin Badshah ◽

Masood Parvez

Keyword(s):

Molecular Structure ◽

Biological Activity ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterization ◽

Acid Crystal ◽

Propenoic Acid ◽

Derivatives Of

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Tin(IV) and organotin(IV) derivatives of anionic 4-acyl-5-pyrazolonato ligands: synthesis, spectroscopic characterization (IR, far-IR, 119Sn mössbauer, 1H, 13C and 119Sn NMR) and behavior in solution crystal and molecular structure of trans-diphenylbis[1-phenyl-3-methyl-4-(4-bromobenzoyl) -pyrazolon-5-ato]tin(IV)

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(96)06178-5 ◽

1996 ◽

Vol 519 (1-2) ◽

pp. 29-44 ◽

Cited By ~ 31

Author(s):

Francesco Caruso ◽

Dante Leonesi ◽

Fabio Marchetti ◽

Eleonora Rivarola ◽

Miriam Rossi ◽

...

Keyword(s):

Molecular Structure ◽

Crystal And Molecular Structure ◽

Spectroscopic Characterization ◽

119Sn Nmr ◽

And Behavior ◽

Derivatives Of

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