Probing the structural and electronic properties of Ag(n)H(-) (n = 1-3) using photoelectron imaging and theoretical calculations

The Journal of Chemical Physics
Hua XieHongjun Fan

Abstract

Structural and electronic properties of silver hydride cluster anions (Ag(n)H(-); n = 1-3) have been explored by combining the negative ion photoelectron imaging spectroscopy and theoretical calculations. The photoelectron spectrum of AgH(-) exhibits transitions from AgH(- 2)Σ(+) to AgH (1)Σ(+) and AgH (3)Σ(+), with the electron affinity (EA) 0.57(3) eV. For Ag(2)H(-), the only observed transition is from Ag(2)H(-) (C(∞v)) (1)Σ(+) to Ag(2)H (C(2v)) (2)A(') and the electron affinity is 2.56(5) eV. Two obvious electron bands are observed in photoelectron imaging of Ag(3)H(-), which are assigned to the transitions from Ag(3)H(-) (C(2v)-T, which means C(2v) geometry with top site hydrogen) (2)B(2) to Ag(3)H (C(2v)-T) (1)A(1) and Ag(3)H (C(2v)-T) (3)B(2). The electron affinity is determined to be 1.61(9) eV. The Ag-H stretching modes in the ground states of AgH and Ag(2)H are experimentally resolved and their frequencies are measured to be 1710(80) and 1650(100) cm(-1), respectively. Aside from the above EAs and the vibrational frequencies, the vertical detachment energies to all ground states and some excited states of Ag(n)H (n = 1-3) are also obtained. Theoretical calculations reproduce the experimental energies quite well, and t...Continue Reading

References

Sep 18, 2003·Journal of the American Chemical Society·Lester Andrews, Xuefeng Wang
Aug 3, 2005·Dalton Transactions : an International Journal of Inorganic Chemistry·George N Khairallah, Richard A J O'Hair
Oct 6, 2006·The Journal of Physical Chemistry. a·Shuang ZhaoKang-Nian Fan

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Citations

Oct 3, 2012·The Journal of Physical Chemistry. a·Hua XieXiaopeng Xing
Feb 8, 2013·The Journal of Physical Chemistry. a·Hua XieXiaopeng Xing
Jan 28, 2014·The Journal of Physical Chemistry. a·Zhiling LiuZichao Tang
May 18, 2013·Rapid Communications in Mass Spectrometry : RCM·Xiaopeng XingZichao Tang
Dec 15, 2015·Rapid Communications in Mass Spectrometry : RCM·Sandra OsburnMichael J Van Stipdonk
Mar 21, 2019·Physical Chemistry Chemical Physics : PCCP·Md HabibSougata Pal
Apr 17, 2021·Scientific Reports·Tahani A AlrebdiFatma Aouaini

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Methods Mentioned

BETA
infrared spectroscopy

Software Mentioned

GAUSSIAN
PESCAL
EOM
CCSD

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