Calculation of the electronic spectra of conjugated cyclic PNS ring systems from preresonance Raman fundamental and overtone intensities

Yang, Yun Yen; Zink, Jeffrey I.

doi:10.1021/ic00218a010

Cited by 6 publications

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“…The formulae have been very useful for calculating excited state displacements. 34,35 This theory can be advantageous when the resonant electronic transition is very broad (due to either short lifetime or high density of allowed vibronic transitions) because the individual eigenstates are not resolved (and thus individual eigenvalues cannot be determined) in the classical KHD equation. Also, calculations for large molecules are typically more efficient using this theory.…”

Section: Time-dependent Formulationmentioning

confidence: 99%

Resonance Raman and surface- and tip-enhanced Raman spectroscopy methods to study solid catalysts and heterogeneous catalytic reactions

et al. 2010

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Resonance Raman (RR) spectroscopy has several advantages over the normal Raman spectroscopy (RS) widely used for in situ characterization of solid catalysts and catalytic reactions. Compared with RS, RR can provide much higher sensitivity and selectivity in detecting catalytically-significant surface metal oxides. RR can potentially give useful information on the nature of excited states relevant to photocatalysis and on the anharmonic potential of the ground state. In this critical review a detailed discussion is presented on several types of RR experimental systems, three distinct sources of so-called Raman (fluorescence) background, detection limits for RR compared to other techniques (EXAFS, PM-IRAS, SFG), and three well-known methods to assign UV-vis absorption bands and a band-specific unified method that is derived mainly from RR results. In addition, the virtues and challenges of surface-enhanced Raman spectroscopy (SERS) are discussed for detecting molecular adsorbates at catalytically relevant interfaces. Tip-enhanced Raman spectroscopy (TERS), which is a combination of SERS and near-field scanning probe microscopy and has the capability of probing molecular adsorbates at specific catalytic sites with an enormous surface sensitivity and nanometre spatial resolution, is also reviewed (300 references).

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Section: Time-dependent Formulationmentioning

confidence: 99%

Resonance Raman and surface- and tip-enhanced Raman spectroscopy methods to study solid catalysts and heterogeneous catalytic reactions

et al. 2010

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Cyclic and Heterocyclic Thiazenes

Oakley

1988

Progress in Inorganic Chemistry

127

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Scheme I1A second binary compound, tetrasulfur dinitride (S4N2, 4), was also isolated before the end of the last century (32). Its correct elemental composition, however, was not established until 1925 (33), and its molecular formula not confirmed until 1951 (34). Early estimates suggested the formula N2Sj (32), an observation that attests to the tendency of the molecule to disproportionate above its melting point of 22.5"C (hence, the high sulfur content). The six-membered ring structure with a half-chair conformation was finally confirmed in 1981 (35,36). Most early preparative methods involved a thermal decomposition, for example, of S4N, in the presence of sulfur and/or carbon disulfide (37,38). More recently the use of simple metathetical reactions, for example, between Ni(S2N2H)? and S2CI2 has been explored (39). A simple procedure involving the reaction of aqueous ammonia with sulfur monochloride has also been developed (40); although the yield is low (<2%), the method provides a convenient preparation of small quantities (<0.5 g) starting from commercially available materials (3%). The solid state polymerization of S4N2 to (SN), ( 5 ) has recently been reported (36); this process is presumably initiated by trace amounts of (radical) impurities since, when recrystallized from diethyl ether, solid S,N, is indefinitely stable below its melting point (3%).Disulfur dinitride (6) (Scheme 11) was first generated (inadvertently) by Burt in 1910 (41) during an attempt to remove sulfur impurities from SJNJ by passing a vaporous mixture of the two over finely divided silver. At the time he noted the formation of a blue film [later characterized as (SN), polymer]. This reaction has been studied extensively since then, and now 304 RICHARD T. OAKLEY

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ChemInform Abstract: Calculation of the Electronic Spectra of Conjugated Cyclic PNS Ring Systems (I) and (II) from Preresonance Raman Fundamental and Overtone Intensities.

Yang¹,

Zink²

1986

Chemischer Informationsdienst

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Calculation of the electronic spectra of conjugated cyclic PNS ring systems from preresonance Raman fundamental and overtone intensities

Cited by 6 publications

References 0 publications

Resonance Raman and surface- and tip-enhanced Raman spectroscopy methods to study solid catalysts and heterogeneous catalytic reactions

Resonance Raman and surface- and tip-enhanced Raman spectroscopy methods to study solid catalysts and heterogeneous catalytic reactions

Cyclic and Heterocyclic Thiazenes

ChemInform Abstract: Calculation of the Electronic Spectra of Conjugated Cyclic PNS Ring Systems (I) and (II) from Preresonance Raman Fundamental and Overtone Intensities.

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