FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1977491107> ?p ?o ?g. }

• W1977491107 endingPage "2093" @default.
• W1977491107 startingPage "2080" @default.
• W1977491107 abstract "The photophysical properties of a group of Ni(II)-centered tetrapyrroles have been investigated by ultrafast transient absorption spectrometry and DFT/TDDFT methods in order to characterize the impacts of α-octabutoxy substitution and benzoannulation on the deactivation pathways of the S1(π,π*) state. The compounds examined were NiPc, NiNc, NiPc(OBu)8, and NiNc(OBu)8, where Pc = phthalocyanine and Nc = naphthalocyanine. It was found that the S1(π,π*) state of NiNc(OBu)8 deactivated within the time resolution of the instrument (200 fs) to a vibrationally hot T1(π,π*) state. The quasidegeneracy of the S1(π,π*) and 3(dz2,dx2-y2) states allowed for fast intersystem crossing (ISC) to occur. After vibrational relaxation (ca. 2.5 ps), the T1(π,π*) converted rapidly (ca. 19 ps lifetime) and reversibly into the 3LMCT(π,dx2-y2) state. The equilibrium state, so generated, decayed to the ground state with a lifetime of ca. 500 ps. Peripheral substitution of the Pc ring significantly modified the photodeactivation mechanism of the S1(π,π*) by inducing substantial changes in the relative energies of the S1(π,π*), 3(dπ,dx2-y2), 3(dz2,dx2-y2), T1(π,π*), and 1,3LMCT(π,dx2-y2) excited states. The location of the Gouterman LUMOs and the unoccupied metal level (dx2-y2) with respect to the HOMO is crucial for the actual position of these states. In NiPc, the S1(π,π*) state underwent ultrafast (200 fs) ISC into a hot (d,d) state. Vibrational cooling (ca. 20 ps lifetime) resulted in a cold (dz2,dx2-y2) state, which repopulated the ground state with a 300 ps lifetime. In NiPc(OBu)8, the S1(π,π*) state deactivated through the 3(dz2,dx2-y2), which in turn converted to the 3LMCT(π,dx2-y2) state, which finally repopulated the ground state with a lifetime of 640 ps. Insufficient solubility of NiNc in noncoordinating solvents prevented transient absorption data from being obtained for this compound. However, the TDDFT calculations were used to make speculations about the photoproperties." @default.
• W1977491107 created "2016-06-24" @default.
• W1977491107 creator A5000493165 @default.
• W1977491107 creator A5009626835 @default.
• W1977491107 creator A5017934215 @default.
• W1977491107 creator A5023433799 @default.
• W1977491107 creator A5038925341 @default.
• W1977491107 creator A5082499974 @default.
• W1977491107 creator A5086875123 @default.
• W1977491107 date "2007-02-15" @default.
• W1977491107 modified "2023-09-27" @default.
• W1977491107 title "Effects of Benzoannulation and α-Octabutoxy Substitution on the Photophysical Behavior of Nickel Phthalocyanines: A Combined Experimental and DFT/TDDFT Study" @default.
• W1977491107 cites W1529761517 @default.
• W1977491107 cites W1966682263 @default.
• W1977491107 cites W1969175514 @default.
• W1977491107 cites W1980197072 @default.
• W1977491107 cites W1980215327 @default.
• W1977491107 cites W2000297701 @default.
• W1977491107 cites W2000554196 @default.
• W1977491107 cites W2001177502 @default.
• W1977491107 cites W2003122347 @default.
• W1977491107 cites W2009514410 @default.
• W1977491107 cites W2014547720 @default.
• W1977491107 cites W2017479175 @default.
• W1977491107 cites W2017962736 @default.
• W1977491107 cites W2030687437 @default.
• W1977491107 cites W2036686010 @default.
• W1977491107 cites W2037037487 @default.
• W1977491107 cites W2037206785 @default.
• W1977491107 cites W2038533471 @default.
• W1977491107 cites W2040337104 @default.
• W1977491107 cites W2045765567 @default.
• W1977491107 cites W2047366333 @default.
• W1977491107 cites W2053927728 @default.
• W1977491107 cites W2057223641 @default.
• W1977491107 cites W2057876413 @default.
• W1977491107 cites W2063433609 @default.
• W1977491107 cites W2063573924 @default.
• W1977491107 cites W2064850136 @default.
• W1977491107 cites W2067722257 @default.
• W1977491107 cites W2067878168 @default.
• W1977491107 cites W2073920866 @default.
• W1977491107 cites W2081448953 @default.
• W1977491107 cites W2083107266 @default.
• W1977491107 cites W2086957099 @default.
• W1977491107 cites W2090536033 @default.
• W1977491107 cites W2091037309 @default.
• W1977491107 cites W2095360079 @default.
• W1977491107 cites W2110508988 @default.
• W1977491107 cites W2129321824 @default.
• W1977491107 cites W2133539121 @default.
• W1977491107 cites W2135804407 @default.
• W1977491107 cites W2150345533 @default.
• W1977491107 cites W2396016254 @default.
• W1977491107 doi "https://doi.org/10.1021/ic061524o" @default.
• W1977491107 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17300192" @default.
• W1977491107 hasPublicationYear "2007" @default.
• W1977491107 type Work @default.
• W1977491107 sameAs 1977491107 @default.
• W1977491107 citedByCount "41" @default.
• W1977491107 countsByYear W19774911072012 @default.
• W1977491107 countsByYear W19774911072013 @default.
• W1977491107 countsByYear W19774911072014 @default.
• W1977491107 countsByYear W19774911072015 @default.
• W1977491107 countsByYear W19774911072016 @default.
• W1977491107 countsByYear W19774911072017 @default.
• W1977491107 countsByYear W19774911072018 @default.
• W1977491107 countsByYear W19774911072019 @default.
• W1977491107 countsByYear W19774911072020 @default.
• W1977491107 countsByYear W19774911072021 @default.
• W1977491107 countsByYear W19774911072022 @default.
• W1977491107 crossrefType "journal-article" @default.
• W1977491107 hasAuthorship W1977491107A5000493165 @default.
• W1977491107 hasAuthorship W1977491107A5009626835 @default.
• W1977491107 hasAuthorship W1977491107A5017934215 @default.
• W1977491107 hasAuthorship W1977491107A5023433799 @default.
• W1977491107 hasAuthorship W1977491107A5038925341 @default.
• W1977491107 hasAuthorship W1977491107A5082499974 @default.
• W1977491107 hasAuthorship W1977491107A5086875123 @default.
• W1977491107 hasConcept C116039458 @default.
• W1977491107 hasConcept C121332964 @default.
• W1977491107 hasConcept C1276947 @default.
• W1977491107 hasConcept C147597530 @default.
• W1977491107 hasConcept C152365726 @default.
• W1977491107 hasConcept C178790620 @default.
• W1977491107 hasConcept C181500209 @default.
• W1977491107 hasConcept C184779094 @default.
• W1977491107 hasConcept C185592680 @default.
• W1977491107 hasConcept C20853536 @default.
• W1977491107 hasConcept C2780761128 @default.
• W1977491107 hasConcept C32891209 @default.
• W1977491107 hasConcept C32909587 @default.
• W1977491107 hasConcept C33062035 @default.
• W1977491107 hasConcept C4839761 @default.
• W1977491107 hasConcept C62520636 @default.
• W1977491107 hasConcept C69523127 @default.
• W1977491107 hasConcept C73978554 @default.
• W1977491107 hasConcept C75473681 @default.

• next