We show from single-crystal x-ray diffraction and computational simulation that a hydrophilic metal-organic framework, [Zn2(btm)2], where H2btm is bis(5-methyl-1H-1,2,4-triazol-3-yl)methane, has quasi-discrete pores that can induce conformational changes in the flexible guest molecules, weakening 1,3-butadiene adsorption through a large bending energy penalty. 
single-crystal x-ray diffraction
We show from single-crystal x-ray diffraction and computational simulation that a hydrophilic metal-organic framework, [Zn2(btm)2], where H2btm is bis(5-methyl-1H-1,2,4-triazol-3-yl)methane, has quasi-discrete pores that can induce conformational changes in the flexible guest molecules, weakening 1,3-butadiene adsorption through a large bending energy penalty. 
computational simulation
We show from single-crystal x-ray diffraction and computational simulation that a hydrophilic metal-organic framework, [Zn2(btm)2], where H2btm is bis(5-methyl-1H-1,2,4-triazol-3-yl)methane, has quasi-discrete pores that can induce conformational changes in the flexible guest molecules, weakening 1,3-butadiene adsorption through a large bending energy penalty. 
[Zn2(btm)2]
We show from single-crystal x-ray diffraction and computational simulation that a hydrophilic metal-organic framework, [Zn2(btm)2], where H2btm is bis(5-methyl-1H-1,2,4-triazol-3-yl)methane, has quasi-discrete pores that can induce conformational changes in the flexible guest molecules, weakening 1,3-butadiene adsorption through a large bending energy penalty. 
H2btm is bis(5-methyl-1H-1,2,4-triazol-3-yl)methane