Low-temperature phosphorescence of dicyanoacetylene in rare gas solids

Abstract

A strong visible ã 3 S u + -X̃1S g + luminescence was observed upon the UV excitation of cryogenic rare gas (argon, krypton, and xenon) matrices doped with dicyanoacetylene (NC 4 N). Spectra and lifetimes of this phosphorescence have been measured. A detailed analysis of resolved vibronic bands is presented.PACS: 33.50.Dq Fluorescence and phosphorescence spectra;

Synthesis and Electronic Phosphorescence of Dicyanooctatetrayne (NC10N) in Cryogenic Matrixes

“…Dependence of phosphorescence wavelength λ origin (left panel) and λ origin 2 (right panel) on molecular size, for the series of cyanopolyynic molecules photochemically formed in solid Kr. Experimental values for NC 2 N, NC 4 N, NC 6 N, and NC 8 N come from refs and − . Theoretical values as derived at CAM-B3LYP/aug-cc-pVTZ level of theory.…”

“…They are kinetically more stable, at least as judged by the first elements of the series, than respective isoelectronic species of the related monocyanopolyyne (HC 2n+1 N) or polyyne (HC 2n H) series. 1 For example, while working with dicyanoethyne (NC 4 N), 2 we could observe that it is much less susceptible to decomposition (by polymerization) than cyanobutadiyne (HC 5 N) 3 or hexatriyne (HC 6 H). 4 Rodlike NC 2n N chains, with their highly conjugated bonding and the ensuing semiconductive properties, are interesting from a purely theoretical/spectroscopic point of view, but potential applications, as nanowires, 5 were also hypothesized.…”

Vibronic structure of the2Πuground electronic state of dicyanoacetylene cation revisited by PFI-ZEKE photoelectron spectroscopy andab initiocalculations

“…The vibrational structure of this molecule has been intensively investigated both experimentally by infrared (IR) or Raman spectroscopy [6][7][8][9][10][11][12][13][14][15][16][17], and theoretically [18,19]. On the other hand, the studies concerning its electronic structure in the ultraviolet (UV) and vacuum-ultraviolet (VUV) domains are scarce [20][21][22][23]. Whereas the neutral C 4 N 2 species starts to absorb in the UV domain, its cation absorbs in the visible range of the diffuse interstellar bands (DIBs) (400-900 nm).…”

Electronic Spectroscopy of Methylcyanodiacetylene (CH3C5N)

“…There is a dearth of experimental and theoretical data for astrophysically relevant molecular species. To fill at least a portion of this gap, we have been systematically studying the vibrational and electronic spectroscopy as well as photochemistry of cyanoacetylene family members . These molecules are one of the most abundant in space and have been detected in various astronomical objects including dark clouds at Heiles's Cloud 2 group, particularly TCM‐1 and ‐2, the molecular envelope of the star IRC +10216, the galactic core region of Sgr B2, comet Hale–Bopp, and Saturn's moon, Titan .…”

“…To fill at least aportion of this gap, we have been systematically studying the vibrational and electronic spectroscopy as wella sp hotochemistry of cyanoacetylene family members. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17] These moleculesa re one of the most abundanti ns pace and have been detected in variousa stronomical objects includingd ark clouds at Heiles's Cloud 2g roup, particularly TCM-1 and -2, [18][19][20][21][22][23][24][25][26][27] the molecular envelopeo ft he star IRC + 10216, [28,29] the galactic core region of Sgr B2, [20,30] cometH ale-Bopp, [31] and Saturn's moon, Titan. [32][33][34] Several literature reportsa lso hint at their possible prebiotic importance.…”