The Bromide - Carbon Monoxide Gas Phase Complex: Anion Photoelectron Spectroscopy and Ab Initio Calculations
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The anion photoelectron spectrum of the bromide–carbon monoxide complex is presented in combination with supporting ab initio calculations. The spectrum features transitions between anion and neutral van der Waals complexes, Br⋯CO. A stabilization energy of 0.14 ± 0.05 eV is extracted from the spectrum, while the predicted binding energy for the anion complex is 9.9 kJ mol–1 from CCSD(T)/aug-cc-pVTZ calculations. The electron affinity of the Br⋯CO complex is 3.50 ± 0.05 eV. The ab initio calculations reveal a previously unreported minimum for the neutral radical complex, namely the van der Waals Br⋯OC linear complex.
2011 ◽
Vol 504
(1-3)
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pp. 13-19
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2018 ◽
Vol 122
(13)
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pp. 3374-3382
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2002 ◽
Vol 605
(2-3)
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pp. 255-276
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Microscopic solvation of NaBO2 in water: anion photoelectron spectroscopy and ab initio calculations
2011 ◽
Vol 13
(35)
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pp. 15865
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2013 ◽
Vol 135
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pp. 5190-5199
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2015 ◽
Vol 119
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pp. 9722-9728
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2015 ◽
Vol 136
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pp. 100-106
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2001 ◽
Vol 114
(17)
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pp. 7388-7395
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