Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313223313> ?p ?o ?g. }
Showing items 1 to 93 of
93
with 100 items per page.
- W4313223313 abstract "Abstract It is currently thought that azobenzene molecules exist in trans and cis form of molecular structure configuration. Affirmation supporting this perspective has been substantially derived by theoretical results in the isomerization process. However, whether these molecular structures may affect the electronic properties entirely need to be confirmed. In this study, I give my effort to understand the molecular structure properties of trans and cis form of azobenzene molecule from 2-hydroxy-5-methyl-2’-nitroazobenzene (HMNA). Their chemistry phenomena are investigated using density functional theory (DFT) method. According to this study, it show that the molecular size of trans form of HMNA is 9.0 Å and cis form of HMNA is 6.6 Å, have electronic transition of π → π* type driven by azo bond in trans- HMNA whereas C = C bond on the benzene ring offers higher contribution for cis -HMNA and also cis -HMNA shows n → π* type with respect to the non-bonding electrons of oxygen and nitrogen atoms while trans- HMNA form does not show any significance. Therefore, this molecule system as a push-pull molecule system contributes to the chemistry properties and phenomenon for molecular structure, electronic transition and mechanism pathway of trans to cis isomer formation in the ground state." @default.
- W4313223313 created "2023-01-06" @default.
- W4313223313 creator A5038943837 @default.
- W4313223313 date "2022-12-28" @default.
- W4313223313 modified "2023-10-03" @default.
- W4313223313 title "Molecular Structure of 2-hydroxy-5-methyl-2-nitroazobenzene Isomer: DFT Insight" @default.
- W4313223313 cites W17487319 @default.
- W4313223313 cites W1968392598 @default.
- W4313223313 cites W1983565015 @default.
- W4313223313 cites W1984599229 @default.
- W4313223313 cites W1989854295 @default.
- W4313223313 cites W2008708918 @default.
- W4313223313 cites W2011254772 @default.
- W4313223313 cites W2023109668 @default.
- W4313223313 cites W2028564369 @default.
- W4313223313 cites W2038767330 @default.
- W4313223313 cites W2042468512 @default.
- W4313223313 cites W2056870506 @default.
- W4313223313 cites W2071955309 @default.
- W4313223313 cites W2079763430 @default.
- W4313223313 cites W2084856161 @default.
- W4313223313 cites W2088902741 @default.
- W4313223313 cites W2101958915 @default.
- W4313223313 cites W2106824077 @default.
- W4313223313 cites W2145219037 @default.
- W4313223313 cites W2151334055 @default.
- W4313223313 cites W2160630798 @default.
- W4313223313 cites W2165809724 @default.
- W4313223313 cites W2169933820 @default.
- W4313223313 cites W2328883787 @default.
- W4313223313 cites W2588686467 @default.
- W4313223313 cites W2767478212 @default.
- W4313223313 cites W2767848234 @default.
- W4313223313 cites W2784711587 @default.
- W4313223313 cites W2785480786 @default.
- W4313223313 cites W2792077965 @default.
- W4313223313 cites W2895846175 @default.
- W4313223313 cites W2955282219 @default.
- W4313223313 cites W2989732882 @default.
- W4313223313 cites W3013897164 @default.
- W4313223313 cites W3096444044 @default.
- W4313223313 cites W3100706582 @default.
- W4313223313 cites W3101278021 @default.
- W4313223313 cites W3125180583 @default.
- W4313223313 cites W4231649355 @default.
- W4313223313 cites W4246538139 @default.
- W4313223313 doi "https://doi.org/10.21203/rs.3.rs-2400567/v1" @default.
- W4313223313 hasPublicationYear "2022" @default.
- W4313223313 type Work @default.
- W4313223313 citedByCount "0" @default.
- W4313223313 crossrefType "posted-content" @default.
- W4313223313 hasAuthorship W4313223313A5038943837 @default.
- W4313223313 hasBestOaLocation W43132233131 @default.
- W4313223313 hasConcept C126661725 @default.
- W4313223313 hasConcept C147597530 @default.
- W4313223313 hasConcept C152365726 @default.
- W4313223313 hasConcept C161790260 @default.
- W4313223313 hasConcept C176788430 @default.
- W4313223313 hasConcept C178790620 @default.
- W4313223313 hasConcept C185592680 @default.
- W4313223313 hasConcept C2777691172 @default.
- W4313223313 hasConcept C2778150588 @default.
- W4313223313 hasConcept C32909587 @default.
- W4313223313 hasConcept C71240020 @default.
- W4313223313 hasConcept C86025842 @default.
- W4313223313 hasConceptScore W4313223313C126661725 @default.
- W4313223313 hasConceptScore W4313223313C147597530 @default.
- W4313223313 hasConceptScore W4313223313C152365726 @default.
- W4313223313 hasConceptScore W4313223313C161790260 @default.
- W4313223313 hasConceptScore W4313223313C176788430 @default.
- W4313223313 hasConceptScore W4313223313C178790620 @default.
- W4313223313 hasConceptScore W4313223313C185592680 @default.
- W4313223313 hasConceptScore W4313223313C2777691172 @default.
- W4313223313 hasConceptScore W4313223313C2778150588 @default.
- W4313223313 hasConceptScore W4313223313C32909587 @default.
- W4313223313 hasConceptScore W4313223313C71240020 @default.
- W4313223313 hasConceptScore W4313223313C86025842 @default.
- W4313223313 hasLocation W43132233131 @default.
- W4313223313 hasOpenAccess W4313223313 @default.
- W4313223313 hasPrimaryLocation W43132233131 @default.
- W4313223313 hasRelatedWork W1976538344 @default.
- W4313223313 hasRelatedWork W2076654292 @default.
- W4313223313 hasRelatedWork W2123636929 @default.
- W4313223313 hasRelatedWork W2154517451 @default.
- W4313223313 hasRelatedWork W2947537384 @default.
- W4313223313 hasRelatedWork W2967665535 @default.
- W4313223313 hasRelatedWork W2973018750 @default.
- W4313223313 hasRelatedWork W3022576070 @default.
- W4313223313 hasRelatedWork W4254760025 @default.
- W4313223313 hasRelatedWork W4322503708 @default.
- W4313223313 isParatext "false" @default.
- W4313223313 isRetracted "false" @default.
- W4313223313 workType "article" @default.