Table 4 Observed bands (frequencies in cm−1) of H2S clusters in helium nanodroplets (our measurements), in molecular beams, and in matrices

From: On the nature of hydrogen bonding in the H2S dimer

Our assignment

He droplets

Previous29 assignment

Molecular beam29

Ne35 matrix

Ar36 matrix

Kr37/Xe38 matrix

N236,39 matrix

CO36 matrix

Trimer

2588.4

ν1 donor

2590

2596.5

2569.5

Kr: 2577.0

2580.3

2567

  

(dimer)

 

(100)

(s)

(71)

(s)

(s)

      

Xe: 2572.5

  

ν1 donor

2598.2

ν1 acceptor

2605

2605.0

2585.5

Kr: 2600.8

2617.8

2604

(dimer)

2602.0

(dimer)

 

(25)

(m)

(8)

(w)

(w)

 

2604.2

       

Trimer

2619.7

ν3 donor

2618

2622.1

2624.3

Kr: 2629.2

2625.3

2614

  

(dimer)

 

(10)

(w)

(9)

(w)

(w)

Trimer

2619.7

ν3 acceptor

2618

2622.1

2629.1

Kr: 2614.2

2631.1

2618

  

(dimer)

 

(10)

 

(9)

(w)

(w)

  1. Numbers in parentheses are the reported IR intensities. The frequencies from our VSCF/VCI calculations are 2578, 2610, and 2583 cm−1 for Minimum I, II, and III of the H2S dimer, respectively. The corresponding intensities in Table 3 show that only a single band is predicted to have sufficient intensity.