Search Results - "Rodrigues, Daniel N. S."

Conformational Analysis and Electronic Interactions of Some 4′-Substituted-2-ethylthio-phenylacetates by Rodrigues, Daniel N. S, Ducati, Lucas C, Olivato, Paulo R, Dal Colle, Maurizio

“…The conformational analysis of various 4′-substituted-2-ethylthio-phenylacetate compounds bearing the substituents NO2 (1), Cl (2), H (3), Me (4), and OMe (5)…”
Get full text

Spectroscopic and theoretical studies of some 3-(4'-substituted phenylsulfanyl)-1-methyl-2-piperidones by Olivato, Paulo R, Santos, Jean M M, Contieri, Bruna, Cerqueira, Carlos R, Rodrigues, Daniel N S, Vinhato, Elisângela, Zukerman-Schpector, Julio, Colle, Maurizio Dal

“…The analysis of the IR carbonyl bands of some 3-(4'-substituted phenylsulfanyl)-1-methyl-2-piperidones 1-6 bearing substituents: NO₂ (compound 1), Br (compound…”
Get full text

Spectroscopic and theoretical studies of some 2‑(methoxy)‑2‑[(4‑substituted)‑phenylsulfanyl]‑(4′‑substituted) acetophenones by Traesel, Henrique J., Olivato, Paulo R., Rodrigues, Daniel N.S., Valença, Jéssica, Rodrigues, Alessandro, Zukerman-Schpector, Julio, Colle, Maurizio Dal

“…The conformational analysis of some 2‑(methoxy)‑2‑[(4‑substituted)‑phenylsulfanyl]‑(4′‑substituted) acetophenones was performed through infrared (IR)…”
Get full text

Conformational analysis and electronic interactions of some 2-ethylsulfinyl-(4′-substituted)-phenylacetates by Rodrigues, Daniel N.S., Olivato, Paulo R., Rodrigues, Alessandro, Colle, Maurizio Dal

“…The analysis of the infrared carbonyl bands of some 2-ethylsulfinyl-(4′-substituted)-phenylacetates bearing the substituents NO2(1), Cl(2), Br(3), H(4), Me(5)…”
Get full text

Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one by Zukerman-Schpector, Julio, Olivato, Paulo R., Traesel, Henrique J., Valença, Jéssica, Rodrigues, Daniel N. S., Tiekink, Edward R. T.

“…In the title β-thiocarbonyl compound, C 16 H 16 O 2 S, the carbonyl and methoxy O atoms are approximately coplanar [O—C—C—O torsion angle = −18.2 (5)°] and syn…”
Get full text

Conformational study of some 4′-substituted 2-(phenylselanyl)-2-(ethylsulfonyl)-acetophenones by Cerqueira, Carlos R., Olivato, Paulo R., Rodrigues, Daniel N.S., Zukerman-Schpector, Julio, Tiekink, Edward R.T., Dal Colle, Maurizio

“…Most stable conformers (c1 and c2) in the gas phase and in solution for compounds 1–5. Y=NO2 (1), Br (2), H (3), Me (4), OMe (5). [Display omitted]…”
Get full text

Crystal structure of 2-meth-oxy-2-[(4-meth-oxy-phen-yl)sulfan-yl]-1-phenyl-ethanone by Caracelli, Ignez, Olivato, Paulo R, Traesel, Henrique J, Valença, Jéssica, Rodrigues, Daniel N S, Tiekink, Edward R T

“…In the title β-thio-carbonyl compound, C16H16O3S, the adjacent meth-oxy and carbonyl O atoms are synperiplanar [the O-C-C-O torsion angle is 19.8 (4)°] and are…”
Get full text

Crystal structure of 2-methoxy-2-[(4-methoxyphenyl)sulfanyl]-1-phenylethanone by Caracelli, Ignez, Olivato, Paulo R., Traesel, Henrique J., Valença, Jéssica, Rodrigues, Daniel N. S., Tiekink, Edward R. T.

“…In the title β-thiocarbonyl compound, C 16 H 16 O 3 S, the adjacent methoxy and carbonyl O atoms are synperiplanar [the O—C—C—O torsion angle is 19.8 (4)°] and…”
Get full text

Crystal structure of 2-meth-oxy-2-[(4-methyl-phen-yl)sulfan-yl]-1-phenyl-ethan-1-one by Zukerman-Schpector, Julio, Olivato, Paulo R, Traesel, Henrique J, Valença, Jéssica, Rodrigues, Daniel N S, Tiekink, Edward R T

“…In the title β-thio-carbonyl compound, C16H16O2S, the carbonyl and meth-oxy O atoms are approximately coplanar [O-C-C-O torsion angle = -18.2 (5)°] and syn to…”
Get full text

Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes by Rodrigues, Daniel N.S., Olivato, Paulo R., Batista, Patrick R., Ducati, Lucas C., Colle, Maurizio Dal

“…•Calculations for 1-5 predict three antiperiplanar and three synperiplanar conformers.•IR doublets of 1-5 in solution indicate at least two conformers.•The…”
Get full text

Conformational analysis and electronic interactions of some 2- [2′-(4′-sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2′-(phenylselanyl)-acetyl]-5-methylfuran by Valença, J., Olivato, Paulo R., Rodrigues, Daniel N.S., Batista, Patrick R., Ducati, Lucas C., Colle, Maurizio Dal

“…•Calculations for 1–7 predict the sc(anti), ac(anti), sc(syn) conformers.•IR spectra of 1–7 in solution indicate at least two conformers.•The sc(anti)…”
Get full text

Conformational analysis and electronic interactions of some 2-[2’-(4′-substituted-phenylsulfinyl)-acetyl]-5-methylfurans by Valença, J., Olivato, Paulo R., Rodrigues, Daniel N.S., Traesel, Henrique J., Zukerman-Schpector, Julio, Colle, Maurizio Dal

“…A conformational study of some 2-[2’-(4′-substituted-phenylsulfinyl)-acetyl]-5-methylfurans 1–4 (OMe1, Me 2, H 3, Cl 4) was performed using IR carbonyl…”
Get full text

Spectroscopic and theoretical studies of some 2-(2′-haloacetyl)-5-substituted: 1-Methylpyrrole, furan and thiophene by Valença, Jéssica, Rodrigues, Daniel N.S., Olivato, Paulo R., Dal Colle, Maurizio

“…The conformational study of some 2-(2′-haloacetyl)-5-substituted five-membered heteroaromatic compounds Z-CH2C(O)(C4H2X)Y bearing a halogen (Z = Cl or Br) at…”
Get full text

Conformational analysis of some 4′-substituted 2-(phenylselanyl)- 2-(methoxy)- acetophenones by Traesel, Henrique J., Olivato, Paulo R., Valença, J., Rodrigues, Daniel N.S., Zukerman-Schpector, Julio, Colle, Maurizio Dal

“…A conformational study of some 4′-substituited 2-(phenylselanyl)-2-(methoxy)-acetophenones (OMe 1, H 2, and Cl 3) was performed using IR carbonyl stretching…”
Get full text

Stereochemical and electronic interaction studies of 4′-substituted 2-(phenylselanyl)-2-(ethylsulfinyl)-acetophenones by Cerqueira, Carlos R., Olivato, Paulo R., Rodrigues, Daniel N.S., Zukerman-Schpector, Julio, Tiekink, Edward R.T., Dal Colle, Maurizio

“…Infrared carbonyl band analysis, supported by B3LYP/6-31 + G(d,p) and single-point PCM calculations, natural bond orbital (NBO) analysis and X-ray diffraction…”
Get full text