FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1574114550> ?p ?o ?g. }

• W1574114550 endingPage "46" @default.
• W1574114550 startingPage "35" @default.
• W1574114550 abstract "The electronic structures of the Haldane gap compounds that include NiII ions having s=1 spin are reported. The azido-bridged Haldane gap compounds, such as NINAZ ([Ni(NH2(CH2)3NH2)2N3]ClO4), NDMAZ ([Ni(NH2CH2C(CH3)2CH2NH2)2N3]ClO4), and NDMAP ([Ni(NH2CH2C(CH3)2 CH2NH2)2N3]PF6) have been synthesized by substituting different in-plane ligands and counteranions. The most powerful advantage of the metal complex based Haldane gap compounds is to control the antiferromagnetic interaction by changing the combination of the counteranions and the in-plane and the bridging ligands. After carrying out a high-precision X-ray structural analysis of NINAZ, the differences of the molecular structures and the electronic structures among these three azido-bridged Haldane gap compounds can be compared in order to clarify the mechanism of the energy difference between the singlet ground state and the triplet excited state. From the result of the energy difference between the singlet and the triplet states using the DV-Xα calculation method, we have observed a trend that the compound having a large Haldane gap energy, such a NINAZ, has a large energy difference between two spin states, implying the larger energy difference should be the harder spin inversion from anti-parallel singlet to the parallel triplet state. Our previous manifestation of the way to predict the value of the Haldane gap by using the analysis of the bond overlap population by means of a DV-Xα molecular orbital calculation was not so suitable for general Haldane gap compounds including the NO2-bridged one-dimensional (1D) chain structure compounds. Therefore in this study the novel way using the analysis of the energy level structures should be reported." @default.
• W1574114550 created "2016-06-24" @default.
• W1574114550 creator A5046045046 @default.
• W1574114550 creator A5066306766 @default.
• W1574114550 creator A5082231557 @default.
• W1574114550 creator A5085696282 @default.
• W1574114550 date "2008-01-01" @default.
• W1574114550 modified "2023-10-18" @default.
• W1574114550 title "Novel Theoretical Prediction Method of the Haldane Gap among the Azido-Bridged Compounds by DV-Xα Molecular Orbital Calculation" @default.
• W1574114550 cites W1650728208 @default.
• W1574114550 cites W1656898192 @default.
• W1574114550 cites W1964931743 @default.
• W1574114550 cites W1967824245 @default.
• W1574114550 cites W1971759215 @default.
• W1574114550 cites W1975646186 @default.
• W1574114550 cites W2008999002 @default.
• W1574114550 cites W2024190094 @default.
• W1574114550 cites W2028897129 @default.
• W1574114550 cites W2029551638 @default.
• W1574114550 cites W2031053864 @default.
• W1574114550 cites W2038409508 @default.
• W1574114550 cites W2040153869 @default.
• W1574114550 cites W2040537493 @default.
• W1574114550 cites W2069498253 @default.
• W1574114550 cites W2069917770 @default.
• W1574114550 cites W2078409902 @default.
• W1574114550 cites W2080665513 @default.
• W1574114550 cites W2081227667 @default.
• W1574114550 cites W2082700476 @default.
• W1574114550 cites W2083210582 @default.
• W1574114550 cites W2089740902 @default.
• W1574114550 cites W2094826172 @default.
• W1574114550 cites W2157986221 @default.
• W1574114550 cites W2171801429 @default.
• W1574114550 cites W2230547431 @default.
• W1574114550 cites W2580711636 @default.
• W1574114550 cites W2953321747 @default.
• W1574114550 cites W3138200022 @default.
• W1574114550 cites W629563246 @default.
• W1574114550 cites W2040059039 @default.
• W1574114550 doi "https://doi.org/10.1016/s0065-3276(07)00004-4" @default.
• W1574114550 hasPublicationYear "2008" @default.
• W1574114550 type Work @default.
• W1574114550 sameAs 1574114550 @default.
• W1574114550 citedByCount "0" @default.
• W1574114550 crossrefType "book-chapter" @default.
• W1574114550 hasAuthorship W1574114550A5046045046 @default.
• W1574114550 hasAuthorship W1574114550A5066306766 @default.
• W1574114550 hasAuthorship W1574114550A5082231557 @default.
• W1574114550 hasAuthorship W1574114550A5085696282 @default.
• W1574114550 hasConcept C121332964 @default.
• W1574114550 hasConcept C147597530 @default.
• W1574114550 hasConcept C155355069 @default.
• W1574114550 hasConcept C178790620 @default.
• W1574114550 hasConcept C181500209 @default.
• W1574114550 hasConcept C181966813 @default.
• W1574114550 hasConcept C184779094 @default.
• W1574114550 hasConcept C185592680 @default.
• W1574114550 hasConcept C26873012 @default.
• W1574114550 hasConcept C32909587 @default.
• W1574114550 hasConcept C33062035 @default.
• W1574114550 hasConcept C69523127 @default.
• W1574114550 hasConcept C76766466 @default.
• W1574114550 hasConcept C8010536 @default.
• W1574114550 hasConceptScore W1574114550C121332964 @default.
• W1574114550 hasConceptScore W1574114550C147597530 @default.
• W1574114550 hasConceptScore W1574114550C155355069 @default.
• W1574114550 hasConceptScore W1574114550C178790620 @default.
• W1574114550 hasConceptScore W1574114550C181500209 @default.
• W1574114550 hasConceptScore W1574114550C181966813 @default.
• W1574114550 hasConceptScore W1574114550C184779094 @default.
• W1574114550 hasConceptScore W1574114550C185592680 @default.
• W1574114550 hasConceptScore W1574114550C26873012 @default.
• W1574114550 hasConceptScore W1574114550C32909587 @default.
• W1574114550 hasConceptScore W1574114550C33062035 @default.
• W1574114550 hasConceptScore W1574114550C69523127 @default.
• W1574114550 hasConceptScore W1574114550C76766466 @default.
• W1574114550 hasConceptScore W1574114550C8010536 @default.
• W1574114550 hasLocation W15741145501 @default.
• W1574114550 hasOpenAccess W1574114550 @default.
• W1574114550 hasPrimaryLocation W15741145501 @default.
• W1574114550 hasRelatedWork W1514659691 @default.
• W1574114550 hasRelatedWork W2000471687 @default.
• W1574114550 hasRelatedWork W2013764381 @default.
• W1574114550 hasRelatedWork W2026787346 @default.
• W1574114550 hasRelatedWork W2067971566 @default.
• W1574114550 hasRelatedWork W2068941732 @default.
• W1574114550 hasRelatedWork W2113505621 @default.
• W1574114550 hasRelatedWork W2144250234 @default.
• W1574114550 hasRelatedWork W2146234190 @default.
• W1574114550 hasRelatedWork W4205244122 @default.
• W1574114550 isParatext "false" @default.
• W1574114550 isRetracted "false" @default.
• W1574114550 magId "1574114550" @default.
• W1574114550 workType "book-chapter" @default.