FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2073639607> ?p ?o ?g. }

• W2073639607 endingPage "9176" @default.
• W2073639607 startingPage "9176" @default.
• W2073639607 abstract "3-Nitrocinnamic acid (3NCA) was synthesized and its crystals were grown in aqueous solution by slow evaporation solution growth technique. The grown crystal was confirmed by powder XRD studies. The geometry, intermolecular hydrogen bonding, and harmonic vibrational wavenumbers of 3NCA were investigated with the help of B3LYP density functional theory (DFT) methods. The calculated molecular geometry has been compared with the experimental data obtained from XRD data. The assignments of the vibrational spectra have been carried out with the aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFF). Vibrational spectral investigation confirms the formation of cyclic dimers in the crystal, with the carboxyl groups of each acid molecule bonded to those of adjacent molecules. The red shift of the O–H stretching wavenumber is due to the formation of strong O–H⋯O hydrogen bonds by hyperconjugation between the carbonyl oxygen lone electron pairs and the O–H σ* antibonding orbitals. Thermal stability of the grown crystal was examined by recording TGA/DTA. Mechanical strength of the grown material was tested by hardness studies. Second harmonic frequency generation was examined by Kurtz and Perry powder test and it reveals that the relative conversion efficiency is 0.8 times greater than that of urea. The theoretical first order hyperpolarizability value was calculated for the optimized structure." @default.
• W2073639607 created "2016-06-24" @default.
• W2073639607 creator A5012729454 @default.
• W2073639607 creator A5025264852 @default.
• W2073639607 creator A5041649705 @default.
• W2073639607 creator A5047481173 @default.
• W2073639607 creator A5059169788 @default.
• W2073639607 creator A5059272208 @default.
• W2073639607 creator A5059579478 @default.
• W2073639607 date "2013-01-01" @default.
• W2073639607 modified "2023-10-16" @default.
• W2073639607 title "Studies on crystal growth, vibrational, dielectric, electronic, mechanical and thermal properties of new organic nonlinear optical crystal: 3-nitrocinnamic acid" @default.
• W2073639607 cites W1963857968 @default.
• W2073639607 cites W1965396850 @default.
• W2073639607 cites W1966376289 @default.
• W2073639607 cites W1966430056 @default.
• W2073639607 cites W1967161585 @default.
• W2073639607 cites W1975741211 @default.
• W2073639607 cites W1975777233 @default.
• W2073639607 cites W1978177394 @default.
• W2073639607 cites W1981712156 @default.
• W2073639607 cites W1982610786 @default.
• W2073639607 cites W1988782308 @default.
• W2073639607 cites W1998363879 @default.
• W2073639607 cites W2002304562 @default.
• W2073639607 cites W2003548886 @default.
• W2073639607 cites W2004091633 @default.
• W2073639607 cites W2014900414 @default.
• W2073639607 cites W2016957490 @default.
• W2073639607 cites W2021377183 @default.
• W2073639607 cites W2021394806 @default.
• W2073639607 cites W2022366997 @default.
• W2073639607 cites W2023717249 @default.
• W2073639607 cites W2028091184 @default.
• W2073639607 cites W2029867653 @default.
• W2073639607 cites W2036417272 @default.
• W2073639607 cites W2041893040 @default.
• W2073639607 cites W2044557738 @default.
• W2073639607 cites W2045976929 @default.
• W2073639607 cites W2048992217 @default.
• W2073639607 cites W2049677675 @default.
• W2073639607 cites W2050467769 @default.
• W2073639607 cites W2054252751 @default.
• W2073639607 cites W2055639835 @default.
• W2073639607 cites W2057209117 @default.
• W2073639607 cites W2063222925 @default.
• W2073639607 cites W2064838673 @default.
• W2073639607 cites W2064905228 @default.
• W2073639607 cites W2068242678 @default.
• W2073639607 cites W2069006374 @default.
• W2073639607 cites W2069040311 @default.
• W2073639607 cites W2069759656 @default.
• W2073639607 cites W2073624370 @default.
• W2073639607 cites W2079380891 @default.
• W2073639607 cites W2080987910 @default.
• W2073639607 cites W2087322664 @default.
• W2073639607 cites W2090797435 @default.
• W2073639607 cites W2091288854 @default.
• W2073639607 cites W2094118655 @default.
• W2073639607 cites W2095474273 @default.
• W2073639607 cites W2097021022 @default.
• W2073639607 cites W2142646034 @default.
• W2073639607 cites W2143981217 @default.
• W2073639607 cites W2169655552 @default.
• W2073639607 cites W231963908 @default.
• W2073639607 doi "https://doi.org/10.1039/c3ce41408f" @default.
• W2073639607 hasPublicationYear "2013" @default.
• W2073639607 type Work @default.
• W2073639607 sameAs 2073639607 @default.
• W2073639607 citedByCount "16" @default.
• W2073639607 countsByYear W20736396072013 @default.
• W2073639607 countsByYear W20736396072014 @default.
• W2073639607 countsByYear W20736396072015 @default.
• W2073639607 countsByYear W20736396072016 @default.
• W2073639607 countsByYear W20736396072017 @default.
• W2073639607 countsByYear W20736396072018 @default.
• W2073639607 countsByYear W20736396072019 @default.
• W2073639607 countsByYear W20736396072020 @default.
• W2073639607 countsByYear W20736396072023 @default.
• W2073639607 crossrefType "journal-article" @default.
• W2073639607 hasAuthorship W2073639607A5012729454 @default.
• W2073639607 hasAuthorship W2073639607A5025264852 @default.
• W2073639607 hasAuthorship W2073639607A5041649705 @default.
• W2073639607 hasAuthorship W2073639607A5047481173 @default.
• W2073639607 hasAuthorship W2073639607A5059169788 @default.
• W2073639607 hasAuthorship W2073639607A5059272208 @default.
• W2073639607 hasAuthorship W2073639607A5059579478 @default.
• W2073639607 hasConcept C112887158 @default.
• W2073639607 hasConcept C113196181 @default.
• W2073639607 hasConcept C139287275 @default.
• W2073639607 hasConcept C147597530 @default.
• W2073639607 hasConcept C147789679 @default.
• W2073639607 hasConcept C152365726 @default.
• W2073639607 hasConcept C166950319 @default.
• W2073639607 hasConcept C178790620 @default.
• W2073639607 hasConcept C185592680 @default.
• W2073639607 hasConcept C192562407 @default.
• W2073639607 hasConcept C199360897 @default.

• next