Role of Rydberg radicals in electrochemistry

Evleth, E. M.; Kassab, E.

doi:10.1351/pac198860020209

Cited by 23 publications

(17 citation statements)

References 2 publications

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“…These results show that the first solvation shell completes with four NH 3 molecules, as in the case of NH 4 + (NH 3 ) n and that, for the larger clusters, further NH 3 molecules are bound to the firstshell NH 3 with weaker hydrogen bonds. These arguments are in accord with the theoretical studies by Kassab and Evleth [10,11].…”

Section: Resultssupporting

confidence: 91%

“…Since NH 4 is isoelectronic with an alkali atom, the solvated NH 4 clusters may serve the purpose of investigation on interaction between a Rydberg electron and surrounding polar solvent molecules. The structure and stability of ammoniated NH 4 have been investigated theoretically by Kassab et al [10,11]. In our previous works, ionization potentials of NH 4 (NH 3 ) n have been determined by photoionization threshold measurement [12].…”

Section: Introductionmentioning

confidence: 99%

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Electronic spectra of solvated NH4 radicals NH4(NH3)n for n=1-6

Nonose

Taguchi

Mizuma

et al. 1999

The European Physical Journal D

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Electronic absorption spectra of NH 4 (NH 3 )n (n = 1 − 6) were measured in the energy region of 4500-14 000 cm −1 . The spectra were assigned to the transition derived from a 3p 2 F 2 − 3s 2 A 1 RydbergRydberg transition of NH 4 . A drastic decrease of excitation energy from the transition of NH 4 (15 062 cm −1 ) down to 5800 cm −1 for NH 4 (NH 3 ) 4 cluster was observed, while there was no clear difference for n = 4, 5, and 6. Successive binding energies of NH 4 (NH 3 )n in the 3p-type state determined from the spectra were found to decrease monotonically with increasing n, in a similar manner to those of a positive ion, NH + 4 . The drastic spectral change was ascribed to spontaneous ionization of NH 4 in ammonia clusters.

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Section: Resultssupporting

confidence: 91%

Section: Introductionmentioning

confidence: 99%

Electronic spectra of solvated NH4 radicals NH4(NH3)n for n=1-6

Nonose

Taguchi

Mizuma

et al. 1999

The European Physical Journal D

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“…Care should be taken with this value, as the calculation does not include zero-point vibrational energy and thermal corrections. Our results, however, are in good agreement with previous calculations [83][84][85][86][87]. The potential energy curves of ground and low-lying excited states for the dissociation of Rydberg NH 4 radicals into (NH 3 þ H) have been calculated with different levels of theory, namely MP2, MP4, CIPSI, SDCI and CCSDT.…”

Section: Wire Solvationsupporting

confidence: 90%

Controlling Excited‐State H‐Atom Transfer along Hydrogen‐Bonded Wires

Manca

Tanner

Leutwyler

2010

Hydrogen Bonding and Transfer in the Excited State

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Hydrogen-bonded wires are involved in a large variety of chemical and biological processes [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. The main reaction associated with hydrogen bonds is proton or H-atom transfer, in which a charge accompanies the transferring proton. A topic of specific interest is proton transport through transmembrane ion channels ('proton wires'), because many transmembrane proteins create, control and use the proton gradient across biological membranes. Hydrogen-bonded wires of water molecules have been identified in numerous membrane-spanning proteins, such as bacteriorhodopsin [17][18][19][20][21][22], the bacterial photosynthetic reaction centre of Rhodobacter sphaeroides [23], the transmembrane channel formed by gramicidin [24][25][26], cytochrome oxidase [27] and other voltage-gated proton channels [28]. The enzymes carbonic anhydrase [29,30] and alcohol dehydrogenase [30] also contain proton relays along chains of water molecules embedded in the interior of the protein. Recently, hydrogen-bonded ammonia wires have been detected in ammonia/ammonium transporter (Amt) transmembrane proteins, which are essential for nitrogen metabolism in all species [31,32]. The translocation mechanisms along these 'proton wires' have become fields of intense theoretical study [5-8, 24-26, 29, 30, 33, 34]. Most of the time, the assumed mechanism is Grotthuss type, after the inventor (1806) of the process. The modern version of the Grotthuss mechanism consists of successive transfers of an excess proton along a hydrogen-bonded wire. These transfers require sequences of reorientation of the wire molecules, which constitutes the rate-limiting step of the mechanism [35]. The excess proton diffuses through a hydrogen bond network via the formation/breaking of covalent bonds, as shown schematically in

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“…[1][2][3][4][5][6][7][8][9][10] The stability and structure of NH 4 have been extensively studied with the experimental [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28] and theoretical [29][30][31][32][33][34][35][36][37][38][39][40][41] methods. Since the stability of NH 4 relative to ͑NH 3 ϩH͒ has been suggested by Mulliken,41 the existence of the NH 4 radical has been confirmed by the isotopic methods, [18][19][20][21][22][23] by the solvated electron reactions, …”

Section: Introductionmentioning

confidence: 99%

Avoided curve crossing for the dissociation of the Rydberg NH4 radical into (NH3+H)

Park

1997

The Journal of Chemical Physics

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Role of Rydberg radicals in electrochemistry

Cited by 23 publications

References 2 publications

Electronic spectra of solvated NH4 radicals NH4(NH3)n for n=1-6

Electronic spectra of solvated NH4 radicals NH4(NH3)n for n=1-6

Controlling Excited‐State H‐Atom Transfer along Hydrogen‐Bonded Wires

Avoided curve crossing for the dissociation of the Rydberg NH4 radical into (NH3+H)

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