10

Hydrogen

The most abundant element in the universe with a remarkably rich chemistry despite its simple atomic structure. From fuel cells to hydrogen bonding in DNA, hydrogen plays fundamental roles in chemistry and life.

H
H
1 H Hydrogen

Part A: The Essentials

Hydrogen is the most abundant element in the universe and the tenth most abundant by mass on Earth, where it is found in the oceans, minerals, and in all forms of life. The partial depletion of elemental hydrogen from Earth reflects its volatility during formation of the planet.

The stable form of elemental hydrogen under normal conditions is dihydrogen, H2, which occurs at trace levels in the Earth's lower atmosphere (0.5 ppm) and is essentially the only component of the extremely thin outer atmosphere.

Why Hydrogen Matters: Dihydrogen is often cited as the 'fuel of the future' on account of its availability from fully renewable resources (water and sunlight) and its clean and highly exothermic reaction with O2. It is an essential raw material for the industrial production of ammonia.

Major Uses of Hydrogen

🔥 Fuel
🌾 NH3 → Fertilizers
H2
🧈 Margarine
⛽ Gasoline
🧪 CH3OH Feedstock
🔩 Metal Production
🧬 Plastics

10.1 The Element

The hydrogen atom, with ground-state configuration 1s1, has only one electron so it might be thought that the element's chemical properties will be limited, but this is far from the case. Hydrogen has richly varied chemical properties and forms compounds with nearly every other element.

Dual Nature of Hydrogen:

Hydrogen ranges in character from being a strong Lewis base (the hydride ion, H) to being a strong Lewis acid (as the hydrogen cation, H+, the proton).

(a) The Atom and Its Ions

Key Points: The proton, H+, is always found in combination with a Lewis base and is highly polarizing; the hydride ion, H, is highly polarizable.

The Three Isotopes of Hydrogen

1H
Protium
By far the most abundant isotope. Nuclear spin I = ½ (used in NMR).
2H (D)
Deuterium
~16 atoms per 100,000. Nuclear spin I = 1. D2O is "heavy water".
3H (T)
Tritium
Radioactive (t½ = 12.4 years). Only 1 in 1021 H atoms.

The free hydrogen cation (H+, the proton) has a very high charge-to-radius ratio and is a very strong Lewis acid. In the gas phase it readily attaches to other molecules and atoms; it even attaches to He to form HeH+. In the condensed phase, H+ is always found in combination with a Lewis base.

(b) Properties and Reactions

Key Points: Hydrogen has unique atomic properties that place it in a unique position in the periodic table. Dihydrogen is quite an inert molecule and its reactions require a catalyst or initiation by radicals.
🔗
Bond Enthalpy
H–H: 436 kJ mol−1
One of the strongest single bonds known
📏
Bond Length
H–H: 74 pm
Very short bond
🌡️
Boiling Point
H2: 20 K (−253°C)
Weak intermolecular forces

Dissociation of H2

H2(g) → H(g) + H(g)    ΔrH° = +436 kJ mol−1
H2(g) → H+(g) + H(g)    ΔrH° = +1675 kJ mol−1

Combustion Reaction

2 H2(g) + O2(g) → 2 H2O(g)    ΔrH° = −242 kJ mol−1

10.2 Simple Compounds

The nature of the bonding in binary compounds of hydrogen (EHn) is largely rationalized by noting that an H atom has:

(a) Classification of Binary Compounds

🔬
Molecular Hydrides
CH4, NH3, H2O
Discrete molecules, covalent E–H bonds
🧂
Saline Hydrides
NaH, CaH2
Ionic, with electropositive elements
⚙️
Metallic Hydrides
TiHx, PdHx
Nonstoichiometric, conducting

(b) Thermodynamic Considerations

Average Bond Energies for Binary Molecular Hydrides (kJ mol−1)

568
H–F
463
O–H
432
C–H
391
N–H
368
S–H
321
P–H
267
Sb–H

(c) Reactions of Binary Compounds

Condition Reaction Type Product
χ(E) ≈ χ(H) Homolytic cleavage E• + H• (radicals)
χ(E) > χ(H) Heterolytic → Protonic E + H+ (Brønsted acid)
χ(E) < χ(H) Heterolytic → Hydridic E+ + H (hydride donor)

Part B: The Detail

10.3 Nuclear Properties

Key Point: The three hydrogen isotopes H, D, and T have large differences in their atomic masses and different nuclear spins, which give rise to easily observed changes in IR, Raman, and NMR spectra.
31H → 32He + β    t½ = 12.4 years

Effect of Deuteration on Physical Properties

Property H2 D2 H2O D2O
Boiling point (°C) −252.8 −249.7 100.0 101.4
Bond enthalpy (kJ mol−1) 436.0 443.3 463.5 470.9

Nuclear Fusion Reaction

21H + 31H → 42He + 10n + 17.6 MeV

10.4 Production of Dihydrogen

In 2012, world production of H2 exceeded 65 Mt. Most H2 is used for ammonia synthesis (Haber process), hydrogenation of fats, hydrocracking, and organic chemical manufacture.

(a) Small-Scale Preparation

2 Al(s) + 2 OH(aq) + 6 H2O(l) → 2 [Al(OH)4](aq) + 3 H2(g)
Zn(s) + 2 H3O+(aq) → Zn2+(aq) + H2(g) + 2 H2O(l)
CaH2(s) + 2 H2O(l) → Ca(OH)2(s) + 2 H2(g)

(b) Production from Fossil Sources

Steam Reforming

CH4(g) + H2O(g) → CO(g) + 3 H2(g)    ΔrH° = +206.2 kJ mol−1

Coal Gasification

C(s) + H2O(g) ⇌ CO(g) + H2(g)    ΔrH° = +131.4 kJ mol−1

Water Gas Shift Reaction

CO(g) + H2O(g) ⇌ CO2(g) + H2(g)    ΔrH° = −41.2 kJ mol−1

(c) Production from Renewable Sources

H2O(l) → H2(g) + ½ O2(g)    E°cell = −1.23 V
BOX 10.3: Hydrogen from Solar Energy

The Earth receives about 100,000 TW from the Sun — approximately 7000 times greater than global energy consumption (15 TW). Technologies under development include high-temperature solar H2 production and photoelectrochemical "artificial photosynthesis".

10.5 Reactions of Dihydrogen

Key Points: Molecular hydrogen is activated by homolytic or heterolytic dissociation on metal surfaces or by coordination to d-block metals. Reactions with O2 and halogens involve radical chain mechanisms.
⚛️
Homolytic Dissociation
H atoms formed at Pt or Ni surfaces. Used in catalytic hydrogenation.
Heterolytic Dissociation
H+ and H formed on ZnO surfaces. Used in methanol synthesis.
🔥
Radical Chain Reactions
With halogens and O2 by heat or light initiation.
Radical Chain Mechanism for H2 + Br2

Initiation: Br2 → Br• + Br•

Propagation: Br• + H2 → HBr + H• ; H• + Br2 → HBr + Br•

Termination: H• + H• → H2 ; Br• + Br• → Br2

10.6 Compounds of Hydrogen

(a) Molecular Hydrides

Classification of Molecular Hydrides
Type Description Examples
Electron-precise All valence electrons in bonds CH4, SiH4, GeH4
Electron-rich Lone pairs on central atom NH3, H2O, HF
Electron-deficient 3c,2e bonds used B2H6, AlH3
Hydrogen Bonding

An E–H bond between an electronegative element E and hydrogen is highly polar. The partially positive H can interact with a lone pair on E of another molecule, forming a hydrogen bond.

Hydrogen Bond kJ mol−1 Covalent Bond kJ mol−1
HO–H···OH222O–H464
F–H···FH29F–H567
F···H···F>155F–H567

(b) Saline Hydrides

Ionic solids containing discrete H ions. Ionic radius varies from 126 pm in LiH to 154 pm in CsH. Group 1 hydrides adopt rock salt structure.

2 H(melt) → H2(g) + 2 e

(c) Metallic Hydrides

Nonstoichiometric compounds (e.g., ZrH1.30 to ZrH1.75) with metallic lustre and conductivity. The "hydride gap" (Groups 7-9) contains no stable binary hydrides.

BOX 10.4: H2 Storage Materials

MgH2: 8% | LiBH4: 20% | LiNH2: 10% | LaNi5H6: 2% (higher H density than liquid H2)

(d) Hydrido and Dihydrogen Complexes

The H atom is usually regarded as H (hydrido) ligand. H2 can also coordinate intact using σ-donation and π-backbonding. If the metal is electron-rich, oxidative addition occurs.

Oxidative Addition at Vaska's Compound

[IrCl(CO)(PPh3)2] + H2 → [IrCl(CO)(H)2(PPh3)2]

Ir(I) → Ir(III), two H ligands formed.

10.7 General Methods for Synthesis

🔄
Direct Combination
2 E + H2(g) → 2 EH
🧪
Protonation
2 E + H2O → EH + OH
⚗️
Metathesis
MH + EX → EH + MX
Metathesis Reaction
LiAlH4(s) + SiCl4(l) → LiAlCl4(s) + SiH4(g)

Summary: Key Properties

PropertyValue
Atomic number1
Configuration1s1
Electronegativity2.2
Ionization energy1310 kJ mol−1
H–H bond enthalpy436 kJ mol−1
H–H bond length74 pm

Special Topics

BOX 10.1: Biological Hydrogen Cycle

H2 is cycled by microbial organisms using metalloenzymes. Fermentative bacteria produce H2 as waste; methanogens use it to produce CH4; Desulfovibrio produces H2S. High breath H2 levels (>70 ppm) can diagnose lactose intolerance.

BOX 10.2: Dihydrogen as Fuel
FuelSpecific Enthalpy (MJ/kg)Energy Density (MJ/dm³)
Liquid H21208.5
Petrol4634.2
Li-ion battery2.06.1
BOX 10.5: Metal Hydride Batteries

Ni metal-hydride batteries: M–H bond enthalpy ideally 25–50 kJ mol−1. Too low → H2 evolved; too high → not reversible. Uses alloys with Li, Mg, Al, V, Mn, Zr, etc.

Practice Exercises

10.1 Hydrogen could be placed in Group 1, 14, or 17. Give arguments for and against each position.
10.7 Name and classify: (a) BaH2, (b) SiH4, (c) NH3, (d) AsH3, (e) PdH0.9, (f) HI.
10.18 Dihydrogen is both a reducing agent and an oxidizing agent. Explain with examples.